0 B6R0.1 C#CCN(C)CC df628b2fb59d020a233c7468342e16c7 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CC(CO)NC#N b6bfa3976d2a6a9619606ed55bd1d96b [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,0,0,0,0,0|1,1,2]=4 5 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,0,0,0,0,0|1,1,2]=4 7 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CCC(C)NC#N c755bc17a86225b89fbcb7b323cbfbb8 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,0,0,0,0,0|0,1,2]=3 10 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,0,0,0,0,0|0,1,2]=3 12 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CCN(C)CC#N 2853a7af5707f71aff1eef2c0f44a019 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,0,0,0,0,0|2,1,1]=4 16 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,0,0,0,0,0|2,1,1]=4 18 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,0,0,0,0,0|4,0,0]=4 20 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,0,0,0,0,0|4,0,0]=4 21 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,0,0,0,0,0|1,0,2]=3 24 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,0,0,0,0,0|2,0,1]=3 28 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,0,0,0,0,0|2,0,1]=3 31 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,0,0,0,0,0|0,1,2]=3 34 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,0,0,0,0,0|1,0,2]=3 35 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,0,0,0,0,0|0,1,2]=3 36 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,0,0,0,0,0|0,1,2]=3 38 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,0,0,0,0,0|1,0,2]=3 39 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,0,0,0,0,0|0,1,2]=3 40 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,0,0,0,0,0|2,0,1]=3 41 B6R0.1 C[C@@H](CO)NC#N 139f5cc18c10fce938a3acd4b6e91304 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,0,0,0,0,0|1,1,2]=4 43 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,0,0,0,0,0|1,1,2]=4 45 B6R0.1 C[C@H](CO)NC#N 169e9f99802281ff5010262eba8da425 [0,0,0,0,0,0|2,0,2]=4 46 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,0,0,0,0,0|1,1,2]=4 47 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [0,0,0,0,0,0|2,0,2]=4 48 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,0,0,0,0,0|1,1,2]=4 49 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 CC(C)NC#N ca654f29c9678ccae3e6761ddb91602e [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|0,1,2]=4 55 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|0,1,2]=4 58 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,0,0,0,0,0|1,1,1]=4 61 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [1,0,0,0,0,0|1,1,1]=4 64 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,1,0,0,0,0|0,1,2]=4 65 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,1,0,0,0,0|0,1,2]=4 68 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,1,0,0,0,0|0,1,2]=4 71 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,1,0,0,0,0|1,0,2]=4 72 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,1,0,0,0,0|2,0,1]=4 73 B7R0.3 C#CCNC(C)CC 1c8cf786a7bf62a91e9eb3f09e0e4cb9 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.3 C#CCN[C@@H](C)CC 48b5b4e4c3419c4d390c7be2cfb833e7 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.3 C#CCN[C@H](C)CC 301aa888349cf4ee28848f6c9d611572 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.3 C#CCOC(C)CC 59388fb49cbbdba7f912f977834cecae [0,1,0,0,0,0|2,0,1]=4 77 B7R0.3 C#CCO[C@@H](C)CC 0638932b66273b5968485ec5247ca338 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.3 C#CCO[C@H](C)CC 846e054615825e240b725005682063ae [0,1,0,0,0,0|2,0,1]=4 79 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,1,0,0,0,0|1,0,2]=4 80 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,1,0,0,0,0|1,0,2]=4 82 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.3 CCC(C)CNC#N 2745cea8547630c0663889b1b93db18f [0,1,0,0,0,0|1,0,2]=4 86 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,1,0,0,0,0|0,1,2]=4 87 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [0,1,0,0,0,0|1,0,2]=4 88 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,1,0,0,0,0|0,1,2]=4 89 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.3 CCC(C)NCC#N 9dccc3b7b0f5034900215eb41b1410b6 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,1,0,0,0,0|0,1,2]=4 92 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,1,0,0,0,0|1,0,2]=4 94 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,1,0,0,0,0|0,1,2]=4 96 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,1,0,0,0,0|0,0,3]=4 97 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,1,0,0,0,0|0,1,2]=4 98 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,1,0,0,0,0|0,0,3]=4 99 B7R0.3 CCC(C)OCC#N 50ba24c28a608cb499d346735f93665e [0,1,0,0,0,0|2,0,1]=4 100 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,1,0,0,0,0|1,1,1]=4 101 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,1,0,0,0,0|2,0,1]=4 102 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,1,0,0,0,0|1,0,2]=4 103 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,1,0,0,0,0|1,1,1]=4 104 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,0,0,0,0|2,0,1]=4 110 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,1,0,0,0,0|1,0,2]=4 112 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,1,0,0,0,0|1,0,2]=4 113 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,1,0,0,0,0|2,0,1]=4 114 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,1,0,0,0,0|2,0,1]=4 115 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.3 CC[C@@H](C)CNC#N c544182635f262c6345531d07f549545 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,1,0,0,0,0|2,0,1]=4 118 B7R0.3 CC[C@@H](C)NCC#N 349bbcd477486d683d830b5721177924 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,1,0,0,0,0|0,1,2]=4 120 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,1,0,0,0,0|1,0,2]=4 121 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,1,0,0,0,0|0,1,2]=4 122 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,1,0,0,0,0|0,0,3]=4 123 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,1,0,0,0,0|0,1,2]=4 124 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,1,0,0,0,0|0,0,3]=4 125 B7R0.3 CC[C@@H](C)OCC#N 967f2c3fca95251181598ab565d2caef [0,1,0,0,0,0|2,0,1]=4 126 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,1,0,0,0,0|1,1,1]=4 127 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,1,0,0,0,0|1,1,1]=4 130 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,1,0,0,0,0|1,0,2]=4 131 B7R0.3 CC[C@H](C)CNC#N 2d01ca5f7fbda4ac4ea7b7d65717717e [0,1,0,0,0,0|1,0,2]=4 132 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,1,0,0,0,0|0,1,2]=4 133 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [0,1,0,0,0,0|1,0,2]=4 134 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,1,0,0,0,0|0,1,2]=4 135 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,1,0,0,0,0|2,0,1]=4 136 B7R0.3 CC[C@H](C)NCC#N 79fe87b82bd2f5a7dcac84c0d29fce58 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,1,0,0,0,0|0,1,2]=4 138 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,1,0,0,0,0|1,0,2]=4 139 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,1,0,0,0,0|0,1,2]=4 140 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,1,0,0,0,0|0,0,3]=4 141 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,1,0,0,0,0|0,1,2]=4 142 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,1,0,0,0,0|0,0,3]=4 143 B7R0.3 CC[C@H](C)OCC#N ea9aeb285d0ece3233263861719aeec4 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,1,0,0,0,0|1,1,1]=4 145 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,1,0,0,0,0|1,0,2]=4 147 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,1,0,0,0,0|1,1,1]=4 148 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,1,0,0,0,0|1,0,2]=4 149 B7R0.5 CC(C)C(C)NC#N c1d5db6fd1627cb82f8f7326c8a6c7a2 [0,1,0,0,0,0|1,0,2]=4 150 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [0,1,0,0,0,0|0,1,2]=4 151 B7R0.5 CC(C)C(C)NCF 643136cdaccdc2c2feaceaf8387098cb [0,1,0,0,0,0|1,0,2]=4 152 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [0,1,0,0,0,0|0,1,2]=4 153 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [0,1,0,0,0,0|0,1,2]=4 155 B7R0.5 CC(C)[C@@H](C)NCF b41e18f15d7a7a980d0fe6a1eba98267 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [0,1,0,0,0,0|0,1,2]=4 157 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [0,1,0,0,0,0|0,1,2]=4 159 B7R0.5 CC(C)[C@H](C)NCF e48701e9d3440c0ecd05eac322b8d2d3 [0,1,0,0,0,0|1,0,2]=4 160 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [0,1,0,0,0,0|0,1,2]=4 161 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [0,1,0,0,0,0|2,0,1]=4 162 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [0,1,0,0,0,0|0,1,2]=4 163 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [0,1,0,0,0,0|1,0,2]=4 164 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,1,0,0,0,0|0,1,2]=4 165 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [0,1,0,0,0,0|2,0,1]=4 166 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,1,0,0,0,0|1,0,2]=4 167 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,1,0,0,0,0|1,0,2]=4 168 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,1,0,0,0,0|1,0,2]=4 169 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,1,0,0,0,0|1,0,2]=4 170 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,1,0,0,0,0|2,0,1]=4 173 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,1,0,0,0,0|2,0,1]=4 174 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [0,1,0,0,0,0|2,0,1]=4 175 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,1,0,0,0,0|2,0,1]=4 179 B7R0.7 CC#CC(C)OCC 7d169bd73109df0adecd56f315bb5686 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.7 CC(CCO)NC#N e70b82d41e1ede507c7c5722bde31959 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,1,0,0,0,0|0,1,2]=4 182 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,1,0,0,0,0|1,0,2]=4 183 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,1,0,0,0,0|0,1,2]=4 184 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.7 CCCC(C)NC#N 6ccb4a7f9bfbd442a47f4d4e2e5f0f39 [0,1,0,0,0,0|1,0,2]=4 186 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,1,0,0,0,0|0,1,2]=4 187 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,1,0,0,0,0|1,0,2]=4 188 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,1,0,0,0,0|1,0,2]=4 189 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,1,0,0,0,0|0,1,2]=4 190 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,1,0,0,0,0|2,0,1]=4 193 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,1,0,0,0,0|0,1,2]=4 195 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,1,0,0,0,0|1,0,2]=4 196 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,1,0,0,0,0|1,0,2]=4 197 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,1,0,0,0,0|0,1,2]=4 198 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.7 CCNC(C)CC#N 896c231cd495c6357e72819fab470c66 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,1,0,0,0,0|1,0,2]=4 202 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,1,0,0,0,0|1,0,2]=4 205 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,1,0,0,0,0|1,0,2]=4 207 B7R0.7 CCOC(C)CC#N 74c7ff950e02e978c381dad00f0222ea [0,1,0,0,0,0|2,0,1]=4 208 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,1,0,0,0,0|2,0,1]=4 210 B7R0.7 CCO[C@@H](C)CC#N 79f640333f75719e0019c555e2ed7c25 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.7 CCO[C@H](C)CC#N 853352ce16f989e76716e5f2635f2407 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.7 COCC(C)NC#N 871d3e288a7c4756795571eac781bef6 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,1,0,0,0,0|0,1,2]=4 216 B7R0.7 COCC(C)NCF 37ce3660c3b090e9f9edd5124bcdcd9a [0,1,0,0,0,0|1,0,2]=4 217 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [0,1,0,0,0,0|0,1,2]=4 218 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,1,0,0,0,0|2,0,1]=4 219 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,1,0,0,0,0|0,1,2]=4 220 B7R0.7 COC[C@@H](C)NCF a6548424f9201b13ac58df133eb2a24a [0,1,0,0,0,0|1,0,2]=4 221 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [0,1,0,0,0,0|0,1,2]=4 222 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,1,0,0,0,0|0,1,2]=4 224 B7R0.7 COC[C@H](C)NCF 7304476e002e28def6ba549158f64fb0 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [0,1,0,0,0,0|0,1,2]=4 226 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,1,0,0,0,0|0,1,2]=4 229 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,1,0,0,0,0|1,0,2]=4 230 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,1,0,0,0,0|0,1,2]=4 231 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,1,0,0,0,0|0,1,2]=4 232 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,1,0,0,0,0|1,0,2]=4 233 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,1,0,0,0,0|0,1,2]=4 234 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,1,0,0,0,0|0,1,2]=4 235 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [0,1,0,0,0,0|1,0,2]=4 236 B7R0.10 CCC(C)N(C)CF d256e2823039dc8016c48630c6e9d811 [0,1,0,0,0,0|1,0,2]=4 237 B7R0.10 CCC(C)N(C)CO 1b36e6675b647f3c2b421b00c5b597a7 [0,1,0,0,0,0|0,1,2]=4 238 B7R0.11 CCC(C)(C)NC=O 467bc47a116e7d37bf8e07bc1f187838 [0,1,0,0,0,0|0,1,2]=4 239 B7R0.11 CCC(C)(C)NCF 43464e32d81406c57eda8518b346c632 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [0,1,0,0,0,0|0,1,2]=4 241 B7R0.11 CCNC(C)(C)CC adae57986ab49a20b402c3b11b898ff8 [0,1,0,0,0,0|1,0,2]=4 242 B7R0.12 CCC(CC)NC#N 656055097bc6f06330a152946e9b48af [0,1,0,0,0,0|1,0,2]=4 243 B7R0.12 CCC(CC)NC=O 4175bd0bc40e9e83245363507b336b46 [0,1,0,0,0,0|0,1,2]=4 244 B7R0.12 CCC(CC)NCF 3d9bfd0de6efff0c7eb71abdfe1f3338 [0,1,0,0,0,0|1,0,2]=4 245 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [0,1,0,0,0,0|0,1,2]=4 246 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.12 CCC(CO)NC#N cb7de5b96a5581c4dc7a1322b8ea92a1 [0,1,0,0,0,0|1,0,2]=4 248 B7R0.12 CCC(CO)NC=O 742cd9cb7df8523077fcd6bd9de1d480 [0,1,0,0,0,0|0,1,2]=4 249 B7R0.12 CCC(CO)NCF 78a0b6c825ca62e5f537e0313224ae30 [0,1,0,0,0,0|1,0,2]=4 250 B7R0.12 CCC(CO)NCO 3c794c1fdc16d6ba628977ba610b2f38 [0,1,0,0,0,0|0,1,2]=4 251 B7R0.12 CCNC(CC)CC dd1a7011b4f855f8c1ad87e5ad908f9a [0,1,0,0,0,0|1,0,2]=4 252 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [0,1,0,0,0,0|1,0,2]=4 253 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [0,1,0,0,0,0|1,0,2]=4 254 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [0,1,0,0,0,0|1,0,2]=4 255 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.12 CC[C@@H](CO)NC=O 637c953e48cb45b4be088640a9f26fb2 [0,1,0,0,0,0|0,1,2]=4 257 B7R0.12 CC[C@@H](CO)NCF 839ec889c8fe0848d31935b9dbdfcd38 [0,1,0,0,0,0|1,0,2]=4 258 B7R0.12 CC[C@@H](CO)NCO c3ea7a2fb8cac1d4f9b9352f27d46e24 [0,1,0,0,0,0|0,1,2]=4 259 B7R0.12 CC[C@H](CO)NC=O c5c2fc5e70a5e94955887b0f6db6a1a2 [0,1,0,0,0,0|0,1,2]=4 260 B7R0.12 CC[C@H](CO)NCF f04a8d368ea68193b9688c8e4f4f4f35 [0,1,0,0,0,0|1,0,2]=4 261 B7R0.12 CC[C@H](CO)NCO 31d6dbcb1b8a1065d54c94ad93fd2f0d [0,1,0,0,0,0|0,1,2]=4 262 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [0,0,0,1,0,0|0,1,2]=4 263 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [0,0,0,1,0,0|1,0,2]=4 264 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,0,0,1,0,0|0,1,2]=4 265 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [0,0,0,1,0,0|1,0,2]=4 266 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [0,0,0,1,0,0|1,0,2]=4 267 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.6 FCNC1CCC1 0b3b99e19517ff72296b77b01d86ca54 [0,0,0,1,0,0|1,0,2]=4 269 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [0,0,0,1,0,0|2,0,1]=4 270 B7R1.6 N#CNC1CCC1 df21ae79cac4678f13f10027af64cd57 [0,0,0,1,0,0|1,0,2]=4 271 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,0,0,1,0,0|0,1,2]=4 272 B7R1.21 CC1(CC1)NC=O 07b8dc5a3dd0a56dffd330aa7b75c69f [0,0,0,1,0,0|0,1,2]=4 273 B7R1.21 CC1(CC1)NCF ca95094546b9f047a7e9abc6602efda5 [0,0,0,1,0,0|1,0,2]=4 274 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [0,0,0,1,0,0|0,1,2]=4 275 B7R1.21 CCNC1(CC1)C 49ee171fcc771c5e16d08c11c421eefd [0,0,0,1,0,0|1,0,2]=4 276 B8R0.9 CCC(C)OCC(=S)N 6b597837cee3e8ac97ffdee12a28c691 [0,2,0,0,0,0|1,0,1]=4