0 B6R0.1 C#CC(C)NC=O 50c944dc0c2f52246cf2f8b75f249da5 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C#CCN(C)CC df628b2fb59d020a233c7468342e16c7 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C#C[C@@H](C)NC=O 4fee702505a1fdefb270b5b6e9eb7aa3 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 C#C[C@H](C)NC=O 55f7e717dc246fc1c154a9332387447d [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,0,0,0,0,0|4,0,0]=4 9 B6R0.1 CC(C#N)NC=O bab971dbe2c7155864d30c197f73349b [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 CCC(C)NC#N c755bc17a86225b89fbcb7b323cbfbb8 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CCN(C)CC#N 2853a7af5707f71aff1eef2c0f44a019 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,0,0,0,0,0|2,0,0]=2 19 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,0,0,0,0,0|2,1,1]=4 22 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,0,0,0,0,0|4,0,0]=4 23 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,0,0,0,0,0|4,0,0]=4 24 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,0,0,0,0,0|3,0,1]=4 28 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,0,0,0,0,0|2,0,0]=2 31 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,0,0,0,0,0|2,0,0]=2 35 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,0,0,0,0,0|3,0,1]=4 38 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,0,0,0,0,0|3,0,0]=3 40 B5R0.1 CC(C)NC#N ca654f29c9678ccae3e6761ddb91602e [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 CSCNC#N dd90c86c89ce5a99a45720112f2e07ec [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,0,0,0,0|3,0,0]=4 48 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,0,0,0,0,0|2,0,0]=3 53 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [0,1,0,0,0,0|2,0,1]=4 57 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [0,1,0,0,0,0|2,0,1]=4 59 B7R0.2 C=C(Br)CN(C)CC a95e900b3ccec6668bc411630f5decf3 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,1,0,0,0,0|3,0,0]=4 61 B7R0.2 C=C(Cl)CN(C)CC 85a42652568d865a3db0ed61404dde1c [0,1,0,0,0,0|3,0,0]=4 62 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,1,0,0,0,0|2,0,1]=4 63 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,1,0,0,0,0|3,0,0]=4 67 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,1,0,0,0,0|2,0,0]=3 69 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,1,0,0,0,0|2,0,0]=3 70 B7R0.2 CCN(C)C[N+](=O)[O-] 1747c815c0bddd9b3eea2e8a91b60fbe [0,1,0,0,0,0|3,0,0]=4 71 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.2 CN(C=O)CC(=O)N 647b1daaec1cafb5c97dc5a4d13d2291 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.2 CN(CF)CC(=O)N 35f09c99eb4485b888503c93a96568a5 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.2 CN(CO)CC(=O)N 731e626c7cf4b35c02c8b97f3321d2b5 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [0,1,0,0,0,0|3,0,0]=4 78 B7R0.3 C#CC(C)NCC=C 1f8d06b60835767f307f6d2a23b76cd8 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.3 C#CC(C)NCC=O ee5942f89b23fd86f41ead0eb91f1f2e [0,1,0,0,0,0|1,0,1]=3 80 B7R0.3 C#CC(C)OCC=C 35c2ceb14425d29fdc0391a672c4f5e1 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.3 C#CC(C)OCC=O ba88f9e6c584cf37d447c8f942df3466 [0,1,0,0,0,0|1,0,1]=3 82 B7R0.3 C#CCNC(C)CC 1c8cf786a7bf62a91e9eb3f09e0e4cb9 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.3 C#CCN[C@@H](C)CC 48b5b4e4c3419c4d390c7be2cfb833e7 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.3 C#CCN[C@H](C)CC 301aa888349cf4ee28848f6c9d611572 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.3 C#CCOC(C)CC 59388fb49cbbdba7f912f977834cecae [0,1,0,0,0,0|2,0,1]=4 86 B7R0.3 C#CCO[C@@H](C)CC 0638932b66273b5968485ec5247ca338 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.3 C#CCO[C@H](C)CC 846e054615825e240b725005682063ae [0,1,0,0,0,0|2,0,1]=4 88 B7R0.3 C#C[C@@H](C)NCC=C 3d7d7fa18b34a1d7be247ce449d2a980 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.3 C#C[C@@H](C)NCC=O 5e75d1c6c4c57369266bed642bd09c8c [0,1,0,0,0,0|1,0,1]=3 90 B7R0.3 C#C[C@@H](C)OCC=C 9616943c520fd58556348ca49fc2eb55 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.3 C#C[C@@H](C)OCC=O e5dc09536c65fde58fa0a450d6db7a37 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.3 C#C[C@H](C)NCC=C 7a69466f827fed807007e686bf77abf8 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.3 C#C[C@H](C)NCC=O a08e4dd67e9c6ea8e5647895c6d0c01d [0,1,0,0,0,0|1,0,1]=3 94 B7R0.3 C#C[C@H](C)OCC=C d42b9d87af2457408c59a2ed3eb69c8d [0,1,0,0,0,0|2,0,1]=4 95 B7R0.3 C#C[C@H](C)OCC=O 0416c8a6869357496f6fa27d6441617b [0,1,0,0,0,0|1,0,1]=3 96 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [0,1,0,0,0,0|3,0,0]=4 97 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,1,0,0,0,0|1,0,1]=3 99 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,1,0,0,0,0|1,0,1]=3 100 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.3 C=CCNC(C)C#N e1736195cfd57e58921f3c42ad258ec8 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.3 C=CCNC(C)C=C 643449ce57adfb0e4dd3cbf4c6e5eff3 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,1,0,0,0,0|2,0,0]=3 105 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,1,0,0,0,0|2,0,0]=3 109 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [0,1,0,0,0,0|2,0,1]=4 111 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [0,1,0,0,0,0|3,0,0]=4 112 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [0,1,0,0,0,0|3,0,0]=4 119 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,1,0,0,0,0|1,0,1]=3 120 B7R0.3 CC(C#N)NCC=O 69c055aa64463f8147e8c2a5cf4caa1a [0,1,0,0,0,0|2,0,0]=3 121 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,1,0,0,0,0|2,0,0]=3 125 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,1,0,0,0,0|2,0,0]=3 126 B7R0.3 CCC(C)CNC#N 2745cea8547630c0663889b1b93db18f [0,1,0,0,0,0|2,0,1]=4 127 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [0,1,0,0,0,0|2,0,1]=4 129 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,1,0,0,0,0|1,0,2]=4 130 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.3 CCC(C)NCC#N 9dccc3b7b0f5034900215eb41b1410b6 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,1,0,0,0,0|1,0,0]=2 133 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,1,0,0,0,0|2,0,1]=4 135 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,1,0,0,0,0|1,1,1]=4 138 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,1,0,0,0,0|3,0,0]=4 140 B7R0.3 CCC(C)OCC#N 50ba24c28a608cb499d346735f93665e [0,1,0,0,0,0|2,0,1]=4 141 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,1,0,0,0,0|2,0,1]=4 143 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,1,0,0,0,0|1,1,1]=4 144 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,0,0,0,0|2,0,1]=4 152 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.3 CCN(C)C/C=C/Cl 823585dad91397251f5e992cc63297db [0,1,0,0,0,0|3,0,0]=4 154 B7R0.3 CCN(C)C/C=C\Cl c5e2db65672dae81ab8ccdee907a4957 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.3 CCN(C)C/C=C\O 60deab8000357700021216d9934790c2 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,1,0,0,0,0|2,0,1]=4 159 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,1,0,0,0,0|1,1,1]=4 160 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,1,0,0,0,0|1,1,1]=4 161 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,1,0,0,0,0|2,0,1]=4 162 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,1,0,0,0,0|1,1,1]=4 163 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,1,0,0,0,0|2,0,1]=4 164 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,1,0,0,0,0|1,1,1]=4 165 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,1,0,0,0,0|1,1,1]=4 167 B7R0.3 CC[C@@H](C)CNC#N c544182635f262c6345531d07f549545 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,1,0,0,0,0|2,0,1]=4 169 B7R0.3 CC[C@@H](C)NCC#N 349bbcd477486d683d830b5721177924 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,1,0,0,0,0|1,0,0]=2 171 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,1,0,0,0,0|2,0,1]=4 172 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,1,0,0,0,0|1,0,2]=4 173 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,1,0,0,0,0|1,1,1]=4 174 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,1,0,0,0,0|3,0,0]=4 175 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,1,0,0,0,0|3,0,0]=4 176 B7R0.3 CC[C@@H](C)OCC#N 967f2c3fca95251181598ab565d2caef [0,1,0,0,0,0|2,0,1]=4 177 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,1,0,0,0,0|1,0,0]=2 178 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,1,0,0,0,0|1,1,1]=4 180 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,1,0,0,0,0|3,0,0]=4 181 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,1,0,0,0,0|3,0,0]=4 182 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,1,0,0,0,0|2,0,0]=3 183 B7R0.3 CC[C@H](C)CNC#N 2d01ca5f7fbda4ac4ea7b7d65717717e [0,1,0,0,0,0|2,0,1]=4 184 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,1,0,0,0,0|1,0,0]=2 185 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [0,1,0,0,0,0|2,0,1]=4 186 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,1,0,0,0,0|1,0,2]=4 187 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,1,0,0,0,0|2,0,1]=4 188 B7R0.3 CC[C@H](C)NCC#N 79fe87b82bd2f5a7dcac84c0d29fce58 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,1,0,0,0,0|1,0,0]=2 190 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,1,0,0,0,0|1,0,2]=4 192 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,1,0,0,0,0|1,1,1]=4 193 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,1,0,0,0,0|3,0,0]=4 194 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,1,0,0,0,0|3,0,0]=4 195 B7R0.3 CC[C@H](C)OCC#N ea9aeb285d0ece3233263861719aeec4 [0,1,0,0,0,0|2,0,1]=4 196 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,1,0,0,0,0|1,1,1]=4 199 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,1,0,0,0,0|3,0,0]=4 200 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,1,0,0,0,0|2,0,1]=4 202 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,1,0,0,0,0|1,1,1]=4 203 B7R0.3 COC(C)CNC#N 91875f2280c0290e923e7b3aea16a1e4 [0,1,0,0,0,0|1,1,1]=4 204 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [0,1,0,0,0,0|1,1,1]=4 205 B7R0.3 CO[C@@H](C)CNC#N 874a7eb040c9314a32d3047a8385e5ee [0,1,0,0,0,0|1,1,1]=4 206 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [0,1,0,0,0,0|0,1,0]=2 207 B7R0.3 CO[C@@H](C)CNCF d565ed3e1243bb1223e9664c2fc97af8 [0,1,0,0,0,0|1,1,1]=4 208 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [0,1,0,0,0,0|0,1,2]=4 209 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [0,1,0,0,0,0|1,1,1]=4 210 B7R0.3 CO[C@H](C)CNC#N 9e41f009ca9048dba1538743d127a2bb [0,1,0,0,0,0|1,1,1]=4 211 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [0,1,0,0,0,0|0,1,0]=2 212 B7R0.3 CO[C@H](C)CNCF ceaa416f9fa3f4676b4c6f05e53da533 [0,1,0,0,0,0|1,1,1]=4 213 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [0,1,0,0,0,0|0,1,2]=4 214 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [0,1,0,0,0,0|1,1,1]=4 215 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,1,0,0,0,0|2,0,0]=3 216 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,1,0,0,0,0|2,0,0]=3 218 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.3 O=CNCC(Br)CBr 93597cc22f25c51d1dc8b5845ef56682 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,1,0,0,0,0|3,0,0]=4 224 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,1,0,0,0,0|3,0,0]=4 226 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [0,1,0,0,0,0|3,0,0]=4 227 B7R0.5 C=CCN(C)C(C)C 96de01368c533ec0e3507154958af2ed [0,1,0,0,0,0|3,0,0]=4 228 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [0,1,0,0,0,0|2,0,0]=3 229 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [0,1,0,0,0,0|2,0,0]=3 230 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [0,1,0,0,0,0|2,0,0]=3 231 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [0,1,0,0,0,0|2,0,0]=3 232 B7R0.5 CC(NC=O)C(=O)N 46e3df0da90011f803541e030709e2d3 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.5 C[C@@H](NC=O)C(=O)N b3f27251f3a1b388bbd3114e372f5d22 [0,1,0,0,0,0|3,0,0]=4 235 B7R0.5 C[C@@H](NC=O)C(F)F 7a46175a666eebcaecea38c10d41c5f2 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.5 C[C@H](NC=O)C(=O)N 16bf5f670688c6b3e99af2484506540e [0,1,0,0,0,0|3,0,0]=4 237 B7R0.5 C[C@H](NC=O)C(F)F 5e0cefc125bbd8fa20819b1d21e2b0ce [0,1,0,0,0,0|3,0,0]=4 238 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [0,1,0,0,0,0|1,1,1]=4 239 B7R0.7 C#CCC(C)OCF 16061fafa3f4241ec92e731e35fafd1d [0,1,0,0,0,0|1,1,1]=4 240 B7R0.7 C#CCN(C)CC=O dff01d702c39ab67a4f96703b4d65557 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.7 C#CCN(C)CSC cf6cea4b6865efb6652c07d118f3814d [0,1,0,0,0,0|2,0,1]=4 242 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,1,0,0,0,0|1,1,1]=4 243 B7R0.7 C/C=C/C(C)OCF 3320ba4ae2d9fdbf44f9979a869dffee [0,1,0,0,0,0|1,1,1]=4 244 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,1,0,0,0,0|1,1,0]=3 245 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,1,0,0,0,0|1,1,0]=3 246 B7R0.7 C=CCN(C)CC=O 0a0a0470779380dc482d888ec7270821 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,1,0,0,0,0|3,0,0]=4 248 B7R0.7 C=CCN(C)CCF b31bc09de38c09b7eacc67cab349dd8e [0,1,0,0,0,0|3,0,0]=4 249 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,1,0,0,0,0|3,0,0]=4 250 B7R0.7 C=CCN(C)CCS 39ef2c909095bde90a27bd83d01eb339 [0,1,0,0,0,0|3,0,0]=4 251 B7R0.7 C=CCN(C)COC 36534bf3b31eb577cc61ba87a9d55a6b [0,1,0,0,0,0|2,1,0]=4 252 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,1,0,0,0,0|2,0,0]=3 253 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,1,0,0,0,0|1,1,0]=3 254 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,1,0,0,0,0|1,1,0]=3 255 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,1,0,0,0,0|1,1,0]=3 256 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,1,0,0,0,0|1,1,0]=3 257 B7R0.7 CC(CC#N)NC=O dfc1f8290024fbf8549fe517f54abe5f [0,1,0,0,0,0|2,0,1]=4 258 B7R0.7 CC(CC#N)NCF f2820184ed483d3978246ff4804f27c4 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.7 CC(CC#N)NCO 285fc00c27a8813f2c741df2c2c44678 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.7 CC(CC#N)OCF 0972addb855c14f5b1b9ae512dd7d335 [0,1,0,0,0,0|1,1,1]=4 261 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,1,0,0,0,0|2,0,0]=3 262 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,1,0,0,0,0|1,0,2]=4 263 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,1,0,0,0,0|1,0,2]=4 264 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,1,0,0,0,0|1,1,1]=4 265 B7R0.7 CC=CC(C)OCF 320a75cf236278cddb0a50a5acdd75bf [0,1,0,0,0,0|1,1,1]=4 266 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,1,0,0,0,0|2,0,0]=3 267 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,1,0,0,0,0|2,0,1]=4 268 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,1,0,0,0,0|2,0,1]=4 269 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,1,0,0,0,0|2,0,1]=4 270 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,1,0,0,0,0|1,1,1]=4 271 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,1,0,0,0,0|1,1,1]=4 272 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,1,0,0,0,0|2,0,0]=3 273 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [0,1,0,0,0,0|2,0,1]=4 274 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,1,0,0,0,0|1,1,1]=4 275 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,1,0,0,0,0|1,1,1]=4 276 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,1,0,0,0,0|2,0,0]=3 277 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,1,0,0,0,0|2,0,1]=4 278 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,1,0,0,0,0|1,1,1]=4 281 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,1,0,0,0,0|1,1,1]=4 282 B7R0.7 CCNC(C)CC#N 896c231cd495c6357e72819fab470c66 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,1,0,0,0,0|1,0,2]=4 284 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,1,0,0,0,0|3,0,0]=4 285 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,1,0,0,0,0|1,0,2]=4 286 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,1,0,0,0,0|3,0,0]=4 287 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,1,0,0,0,0|1,0,2]=4 288 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,1,0,0,0,0|3,0,0]=4 289 B7R0.7 CCOC(C)CC#N 74c7ff950e02e978c381dad00f0222ea [0,1,0,0,0,0|1,1,1]=4 290 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,1,0,0,0,0|2,1,0]=4 291 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,1,0,0,0,0|2,0,1]=4 292 B7R0.7 CCO[C@@H](C)CC#N 79f640333f75719e0019c555e2ed7c25 [0,1,0,0,0,0|1,1,1]=4 293 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,1,0,0,0,0|2,1,0]=4 294 B7R0.7 CCO[C@H](C)CC#N 853352ce16f989e76716e5f2635f2407 [0,1,0,0,0,0|1,1,1]=4 295 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,1,0,0,0,0|2,1,0]=4 296 B7R0.7 CN(CC#N)CC=O 12ba89d8d84c8f98fbf202698aed3177 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [0,1,0,0,0,0|2,0,0]=3 298 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [0,1,0,0,0,0|2,0,0]=3 299 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,1,0,0,0,0|1,1,0]=3 300 B7R0.7 COCC(C)NCF 37ce3660c3b090e9f9edd5124bcdcd9a [0,1,0,0,0,0|3,0,0]=4 301 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [0,1,0,0,0,0|3,0,0]=4 302 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,1,0,0,0,0|2,1,0]=4 303 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,1,0,0,0,0|1,1,0]=3 304 B7R0.7 COC[C@@H](C)NCF a6548424f9201b13ac58df133eb2a24a [0,1,0,0,0,0|3,0,0]=4 305 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [0,1,0,0,0,0|3,0,0]=4 306 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,1,0,0,0,0|2,1,0]=4 307 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,1,0,0,0,0|1,1,0]=3 308 B7R0.7 COC[C@H](C)NCF 7304476e002e28def6ba549158f64fb0 [0,1,0,0,0,0|3,0,0]=4 309 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [0,1,0,0,0,0|3,0,0]=4 310 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,1,0,0,0,0|2,1,0]=4 311 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.7 CSCN(C)CC#N 63f0ea4e5ce933e4951dd83f4f114974 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.7 CSCN(C)CCF 9d16e27a475cba1630b67c24ce2c9bd7 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,1,0,0,0,0|1,0,2]=4 315 B7R0.7 C[C@@H](CC#N)OCF 69332a263c9d59474fcf15322740989a [0,1,0,0,0,0|1,1,1]=4 316 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,1,0,0,0,0|2,0,0]=3 317 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,1,0,0,0,0|1,0,2]=4 318 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,1,0,0,0,0|1,0,2]=4 319 B7R0.7 C[C@H](CC#N)OCF 9dbd768d6224ac240ada1a649aeb97a3 [0,1,0,0,0,0|1,1,1]=4 320 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,1,0,0,0,0|2,0,0]=3 321 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,1,0,0,0,0|1,0,2]=4 322 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,1,0,0,0,0|1,0,2]=4 323 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [0,1,0,0,0,0|3,0,0]=4 324 B7R0.10 CC(CO)N(C)C=O 4659927dd4489ef42e67e78276d3b1b4 [0,1,0,0,0,0|3,0,0]=4 325 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,1,0,0,0,0|2,0,0]=3 326 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,1,0,0,0,0|2,0,1]=4 327 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [0,1,0,0,0,0|2,0,0]=3 328 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [0,1,0,0,0,0|2,0,0]=3 329 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [0,1,0,0,0,0|3,0,0]=4 330 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [0,1,0,0,0,0|3,0,0]=4 331 B7R0.11 C#CC(C)(C)NC=O eec20f4791fae3c1459af6a385ff52d7 [0,1,0,0,0,0|2,0,1]=4 332 B7R0.11 CC(C)(C#N)NC=O bdc2e7f7dc73aab830e5294af0434498 [0,1,0,0,0,0|3,0,0]=4 333 B7R0.11 CC(C)(CF)NC=O ff7fc0b5fb780004ba739902f541960d [0,1,0,0,0,0|3,0,0]=4 334 B7R0.11 CC(C)(CO)NC=O b948c4623b1c99369aaa53f2724551dc [0,1,0,0,0,0|3,0,0]=4 335 B7R0.11 CCC(C)(C)NC=O 467bc47a116e7d37bf8e07bc1f187838 [0,1,0,0,0,0|2,0,0]=3 336 B7R0.12 C=C[C@@H](CO)NC=O 5d09ef4825c604a2efc4917c4ac324ba [0,1,0,0,0,0|2,0,1]=4 337 B7R0.12 CCC(CC)NC=O 4175bd0bc40e9e83245363507b336b46 [0,1,0,0,0,0|2,0,0]=3 338 B7R0.12 CCC(CO)NC=O 742cd9cb7df8523077fcd6bd9de1d480 [0,1,0,0,0,0|2,0,0]=3 339 B7R0.12 CC[C@@H](CO)NC=O 637c953e48cb45b4be088640a9f26fb2 [0,1,0,0,0,0|2,0,0]=3 340 B7R0.12 CC[C@H](CO)NC=O c5c2fc5e70a5e94955887b0f6db6a1a2 [0,1,0,0,0,0|2,0,0]=3 341 B7R0.12 O=CNC(CO)CO cf9304986c9a1419edf6773dbe4f0207 [0,1,0,0,0,0|3,0,0]=4 342 B7R1.1 CCN1CC=CC1 6c4c19a4974c3e71b2e06f869bc9eb5b [0,0,0,1,0,0|3,0,0]=4 343 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [0,0,0,1,0,0|2,0,0]=3 344 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [0,0,0,1,0,0|3,0,0]=4 345 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [0,0,0,1,0,0|2,0,0]=3 346 B7R1.6 O=CNC1COC1 910edb395eecbce8af210d974d8d054c [0,0,0,1,0,0|3,0,0]=4 347 B7R1.21 CC1(CC1)NC=O 07b8dc5a3dd0a56dffd330aa7b75c69f [0,0,0,1,0,0|2,0,0]=3 348 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [1,1,0,0,0,0|1,0,0]=3 349 B6R0.4 C#CCNC(C)C cd1408fc1dae47155e40a1bc6beb1606 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.4 C#CCOC(C)C f06fe85c789040b5be09600decc77ea1 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,1,0,0,0,0|0,0,2]=4 352 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,1,0,0,0,0|0,1,1]=4 354 B6R0.4 CC(C)CNC#N 4669aa11e322ca513b1e9ea16868c159 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,1,0,0,0,0|0,0,0]=2 356 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [1,1,0,0,0,0|0,0,2]=4 358 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.4 CC(C)NCC#N 8d9c5f2bbdfd2e60c34ddc5972663be0 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [1,1,0,0,0,0|1,0,1]=4 362 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [1,1,0,0,0,0|1,0,1]=4 363 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,1,0,0,0,0|0,0,2]=4 364 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [1,1,0,0,0,0|0,1,1]=4 365 B6R0.4 CC(C)OCC#N 1be7e1885bd3670d21ecc2d4422857b0 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,1,0,0,0,0|0,0,0]=2 367 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [1,1,0,0,0,0|1,0,1]=4 368 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [1,1,0,0,0,0|0,1,1]=4 369 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,1,0,0,0,0|0,1,0]=3 370 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [1,1,0,0,0,0|1,0,1]=4 371 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,1,0,0,0,0|1,0,1]=4 374 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,1,0,0,0,0|1,0,1]=4 375 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [1,1,0,0,0,0|2,0,0]=4 377 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,1,0,0,0,0|0,1,0]=3 379 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,1,0,0,0,0|0,1,0]=3 380 B6R0.4 O=CNCC(F)F b205fb0d823ccdf5423d257101ba187a [1,1,0,0,0,0|2,0,0]=4 381 B6R0.5 CC(C)(C)NC=O fd731f01e449e88bdf1e84dfcee6c8d2 [1,1,0,0,0,0|1,0,0]=3 382 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.6 C#CCNCSC 69915d57a8223b03b8361fb9c38f7a03 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.6 C#CCOCSC 52002a13a3c2019ebe79ada1718575f3 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,1,0,0,0,0|1,0,1]=4 388 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,1,0,0,0,0|2,0,0]=4 389 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,1,0,0,0,0|2,0,0]=4 391 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,1,0,0,0,0|1,1,0]=4 392 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,1,0,0,0,0|1,1,0]=4 393 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,1,0,0,0,0|1,1,0]=4 396 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [1,1,0,0,0,0|1,0,1]=4 397 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,1,0,0,0,0|1,0,0]=3 398 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,1,0,0,0,0|1,0,0]=3 399 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,1,0,0,0,0|1,0,0]=3 401 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,1,0,0,0,0|1,0,1]=4 402 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,1,0,0,0,0|0,1,0]=3 404 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,1,0,0,0,0|1,0,1]=4 405 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,1,0,0,0,0|0,1,0]=3 406 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,1,0,0,0,0|0,1,0]=3 407 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.6 CSCCNC#N 600fd746ec0d58a2c56bd925339f8673 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,1,0,0,0,0|0,0,0]=2 410 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [1,1,0,0,0,0|1,0,1]=4 411 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [1,1,0,0,0,0|0,0,2]=4 412 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.6 CSCNCC#N 078cbee6de3daa83b37e1cc1437722ce [1,1,0,0,0,0|1,0,1]=4 414 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [1,1,0,0,0,0|1,0,1]=4 415 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [1,1,0,0,0,0|1,0,1]=4 417 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [1,1,0,0,0,0|0,0,2]=4 418 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [1,1,0,0,0,0|0,1,1]=4 419 B6R0.6 CSCOCC#N 86a9322be62d2f60d6a769d9f5959c98 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [1,1,0,0,0,0|1,0,1]=4 421 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [1,1,0,0,0,0|0,1,1]=4 422 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [1,1,0,0,0,0|2,0,0]=4 423 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [1,1,0,0,0,0|2,0,0]=4 424 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [1,1,0,0,0,0|2,0,0]=4 425 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [1,1,0,0,0,0|1,1,0]=4 427 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,1,0,0,0,0|0,1,0]=3 428 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,1,0,0,0,0|2,0,0]=4 429 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,1,0,0,0,0|2,0,0]=4 430 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,1,0,0,0,0|2,0,0]=4 431 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,1,0,0,0,0|2,0,0]=4 432 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,1,0,0,0,0|2,0,0]=4 433 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,1,0,0,0,0|2,0,0]=4 434 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,1,0,0,0,0|2,0,0]=4 435 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,1,0,0,0,0|2,0,0]=4 436 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,1,0,0,0,0|2,0,0]=4 437 B8R0.2 CC(C)C(C)N(C)C=O e32ec4d609cdef72cf76408a73ca2025 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.2 CC(C)N(C)C(C)C=O 6091c0646cdd48898f061f959a54ba41 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.2 CC(C)N(C)[C@H](C)C=O 9010d617425c4bead345c819dc81d90d [0,2,0,0,0,0|2,0,0]=4 440 B8R0.2 CCC(C)N(C)C(=O)C 086f7eb815f719734067083abba6aada [0,2,0,0,0,0|2,0,0]=4 441 B8R0.2 CCN(C)C(C)C(=O)C b0aebe8e13e2528b49b039e15b578c7c [0,2,0,0,0,0|2,0,0]=4 442 B8R0.2 CCN(C)C(C)C(=O)N c9d5fe87f550d78b666f9d69e7149698 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.2 CCN(C)C(C)C(=O)O 6f2a7033474106426aec9bd9ed3b37aa [0,2,0,0,0,0|2,0,0]=4 444 B8R0.2 CCN(C)C(F)C(=O)N 38943317264fb5f4bb1b8ecb07aa912e [0,2,0,0,0,0|2,0,0]=4 445 B8R0.2 CCN(C)[C@@H](C)C(=O)N e92486f9a20f42ba27598bb897bbfb89 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.2 CCN(C)[C@@H](C)C(=O)O ccda40b7947e3ec868172b2d11a39e32 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.2 CCN(C)[C@H](C)C(=O)N 00061aa619b17a93e01c3e5051412b52 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.2 CCN(C)[C@H](C)C(=O)O a423cd91a719c568f85e9128b6162ae1 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.5 C=CCC(C)OC(C)C 45825ae26f455c78095404e7f4d38fa0 [0,2,0,0,0,0|1,1,0]=4 450 B8R0.5 C=CC[C@@H](C)OC(C)C d81df3e229a2355212eeaf2dac2b4426 [0,2,0,0,0,0|1,1,0]=4 451 B8R0.5 C=CC[C@H](C)OC(C)C 2ebaf3f133b5c58d9bd9bf758c41b800 [0,2,0,0,0,0|1,1,0]=4 452 B8R0.5 CC(=O)NC(C)CCO 31015bb8805fb64762d130a6b4b7d734 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.5 CC(=O)N[C@@H](C)CCO 4818866c214b230552dc5531d2d7dacb [0,2,0,0,0,0|2,0,0]=4 454 B8R0.5 CC(=O)N[C@H](C)CCO d4f1175f550aed36e673eb7917598f76 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.5 CC(C)CC(C)NC=O e933238982de5f0216c89e274f51b483 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.5 CC(C)CN(C)CC=O 59dafc928f01f7d2bba86fd3699f3b41 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.5 CC(CC(=O)N)OCF 3e264f2c27636c1a0f540c1f468797f4 [0,2,0,0,0,0|0,1,0]=3 458 B8R0.5 CC(CC(=O)O)NC#N 2707038014831afc2ce40ae6d3c44c2b [0,2,0,0,0,0|1,0,1]=4 459 B8R0.5 CC(CC(=O)O)NCF 84d4be16e4ac304aaa68ed4d36823324 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.5 CC(CC(=O)O)NCO 10996b09f91fab84edb45bd9880e2318 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.5 CC(CC(=O)O)OCF 14e16352da0b978e8e37b50cbc803026 [0,2,0,0,0,0|0,1,0]=3 462 B8R0.5 CC(CN(C)C)NC=O 0421ece4ecef12595309d8230b303423 [0,2,0,0,0,0|2,0,0]=4 463 B8R0.5 CC(C[N+](=O)[O-])OCF ebebef16491bc728411436c052fc9756 [0,2,0,0,0,0|1,1,0]=4 464 B8R0.5 CC(O)CC(C)NC=O 76dc14d6eeea3df57c426497eec6d958 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.5 CC(O)CN(C)CC=O de7f5657d95f25cf3dc2f58b768af66b [0,2,0,0,0,0|2,0,0]=4 466 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,2,0,0,0,0|2,0,0]=4 467 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,2,0,0,0,0|2,0,0]=4 468 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,2,0,0,0,0|1,0,0]=3 471 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,2,0,0,0,0|1,0,0]=3 472 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,2,0,0,0,0|1,0,0]=3 473 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,2,0,0,0,0|0,1,0]=3 474 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 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C#CC(C)OCC(=O)O 86945981ae8eaaa778f83ec3ae4ff391 [0,2,0,0,0,0|1,0,1]=4 881 B8R0.9 C#C[C@@H](C)NCC(=O)N ae23c8b7683fb792d58192169f61f02d [0,2,0,0,0,0|1,0,1]=4 882 B8R0.9 C#C[C@@H](C)NCC(=O)O 870b1440fbecf6ad620d6ff4e4eac50b [0,2,0,0,0,0|1,0,1]=4 883 B8R0.9 C#C[C@@H](C)OCC(=O)N c25236b627e20c497b67314d1c7aadee [0,2,0,0,0,0|1,0,1]=4 884 B8R0.9 C#C[C@@H](C)OCC(=O)O 9bbfddfb8eea4f6aea8d08313b189ed8 [0,2,0,0,0,0|1,0,1]=4 885 B8R0.9 C#C[C@H](C)NCC(=O)N 79963d7d1eb88702311e6f8108ddfc3d [0,2,0,0,0,0|1,0,1]=4 886 B8R0.9 C#C[C@H](C)NCC(=O)O 3c98bce4a0db3f45a27121a2c37598a6 [0,2,0,0,0,0|1,0,1]=4 887 B8R0.9 C#C[C@H](C)OCC(=O)N d36d678d56ba5311696ce65072d8c107 [0,2,0,0,0,0|1,0,1]=4 888 B8R0.9 C#C[C@H](C)OCC(=O)O 33b89dc76124892fb33f6382d6c567d7 [0,2,0,0,0,0|1,0,1]=4 889 B8R0.9 C=C(Br)CNC(C)CC e82847dcad9ed2bd533fd2563c3b519d [0,2,0,0,0,0|2,0,0]=4 890 B8R0.9 C=C(Br)CN[C@@H](C)CC 37f7a7e42f3e467987064f3f419e144d [0,2,0,0,0,0|2,0,0]=4 891 B8R0.9 C=C(Br)CN[C@H](C)CC 1b5c6508d8f52572aaaac189914383ff [0,2,0,0,0,0|2,0,0]=4 892 B8R0.9 C=C(Br)COC(C)CC 49feeff7986d6ae4fb296a8afe6d8ffc [0,2,0,0,0,0|2,0,0]=4 893 B8R0.9 C=C(Br)CO[C@@H](C)CC 868ef2581d68bb1b094a2fa1f8b58132 [0,2,0,0,0,0|2,0,0]=4 894 B8R0.9 C=C(Br)CO[C@H](C)CC 896e023f3f172d1a0521ca41c722cbcb [0,2,0,0,0,0|2,0,0]=4 895 B8R0.9 C=C(C)CNC(C)CC 256f62cec490bafed043741999c25df4 [0,2,0,0,0,0|2,0,0]=4 896 B8R0.9 C=C(C)CN[C@@H](C)CC d26c3d64a9f189169a5866d4e2b497b9 [0,2,0,0,0,0|2,0,0]=4 897 B8R0.9 C=C(C)CN[C@H](C)CC 63a0b508416fa3ab231e5f743622aa6e [0,2,0,0,0,0|2,0,0]=4 898 B8R0.9 C=C(C)COC(C)CC 4482bd721211f848f89897698cdef93d [0,2,0,0,0,0|2,0,0]=4 899 B8R0.9 C=C(C)CO[C@@H](C)CC 1f8fa1d6bc957d679b02c8c39dd68048 [0,2,0,0,0,0|2,0,0]=4 900 B8R0.9 C=C(C)CO[C@H](C)CC 4903f87f8690f044163b36d5c736143f [0,2,0,0,0,0|2,0,0]=4 901 B8R0.9 C=C(Cl)CNC(C)CC 076dd5595da9764c1f8638621b66326f [0,2,0,0,0,0|2,0,0]=4 902 B8R0.9 C=C(Cl)CN[C@@H](C)CC 6844b9915d30cf390d84dd923074ff78 [0,2,0,0,0,0|2,0,0]=4 903 B8R0.9 C=C(Cl)CN[C@H](C)CC 00f99e20e2c66def762893e8ac89e470 [0,2,0,0,0,0|2,0,0]=4 904 B8R0.9 C=C(Cl)COC(C)CC 683db6dee4558a7fd0cf1ddd08de7466 [0,2,0,0,0,0|2,0,0]=4 905 B8R0.9 C=C(Cl)CO[C@@H](C)CC f1b2ffe2d8a3606ba8db6452fbde499c [0,2,0,0,0,0|2,0,0]=4 906 B8R0.9 C=C(Cl)CO[C@H](C)CC e33ef1408b617f755d53e1b85c1dd1a5 [0,2,0,0,0,0|2,0,0]=4 907 B8R0.9 C=C(I)COC(C)CC 1c02165e4082ec06ba2c7744789ae92c [0,2,0,0,0,0|2,0,0]=4 908 B8R0.9 C=CC(C)NCC(=O)C b2014bf11d5705e4d318fa019758c231 [0,2,0,0,0,0|1,0,1]=4 909 B8R0.9 C=CC(C)NCC(=O)N 8e99b62ce7b0cacfac123da3e0d44453 [0,2,0,0,0,0|1,0,1]=4 910 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,2,0,0,0,0|1,0,1]=4 911 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,2,0,0,0,0|1,0,1]=4 912 B8R0.9 C=CC(C)OCC(=O)N 0d06a7ddf76614144a3227f608d154b8 [0,2,0,0,0,0|1,0,1]=4 913 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,2,0,0,0,0|1,0,1]=4 914 B8R0.9 C=C[C@H](C)OCC(=O)N ba49805e8ed0d5d0e00a52526e184ffd [0,2,0,0,0,0|1,0,1]=4 915 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,2,0,0,0,0|1,0,1]=4 916 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,2,0,0,0,0|2,0,0]=4 917 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,2,0,0,0,0|2,0,0]=4 918 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,2,0,0,0,0|2,0,0]=4 919 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,2,0,0,0,0|2,0,0]=4 920 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,2,0,0,0,0|2,0,0]=4 921 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,2,0,0,0,0|2,0,0]=4 922 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,2,0,0,0,0|2,0,0]=4 923 B8R0.9 CC(=O)NCC(C)C#N 70b6e41d7a36e25b863c12e3e2ab9f7c [0,2,0,0,0,0|2,0,0]=4 924 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,2,0,0,0,0|2,0,0]=4 925 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,2,0,0,0,0|2,0,0]=4 926 B8R0.9 CC(C#N)NCC(=O)N d29bd277beb2ae89e361147ba0b29db1 [0,2,0,0,0,0|2,0,0]=4 927 B8R0.9 CC(C#N)NCC(=O)O b4dc74a9f9a0e75fffde2f481c0af544 [0,2,0,0,0,0|2,0,0]=4 928 B8R0.9 CC(C=O)NCC(=O)N 8e22627cfffb50e4ce2f26bd34026793 [0,2,0,0,0,0|2,0,0]=4 929 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,2,0,0,0,0|2,0,0]=4 930 B8R0.9 CC(C=O)OCC(=O)N e8fdf3bf6f6dfcc63a5ed65bb70bb389 [0,2,0,0,0,0|2,0,0]=4 931 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,2,0,0,0,0|2,0,0]=4 932 B8R0.9 CC(CF)OCC(=O)N 85ec4187286fdad5a9553ca5e7cee35f [0,2,0,0,0,0|2,0,0]=4 933 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,2,0,0,0,0|2,0,0]=4 934 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,2,0,0,0,0|2,0,0]=4 935 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,2,0,0,0,0|2,0,0]=4 936 B8R0.9 CC(CS)OCC(=O)N b11e299a771877421c46b123080a3ea9 [0,2,0,0,0,0|2,0,0]=4 937 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,2,0,0,0,0|2,0,0]=4 938 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,2,0,0,0,0|1,0,0]=3 939 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,2,0,0,0,0|1,0,0]=3 940 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,2,0,0,0,0|1,0,0]=3 941 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,2,0,0,0,0|1,0,0]=3 942 B8R0.9 CCC(C)NC[N+](=O)[O-] e9f660b74a6c0107f128f338922566a2 [0,2,0,0,0,0|2,0,0]=4 943 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,2,0,0,0,0|1,0,0]=3 944 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,2,0,0,0,0|1,0,0]=3 945 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,2,0,0,0,0|1,0,0]=3 946 B8R0.9 CCC(C)OCC(=S)N 6b597837cee3e8ac97ffdee12a28c691 [0,2,0,0,0,0|1,1,0]=4 947 B8R0.9 CCC(C)OCS(=O)O 218f2e14527146233901e95c42e5bea0 [0,2,0,0,0,0|2,0,0]=4 948 B8R0.9 CCC(C)OC[N+](=O)[O-] ce29daa7a1531741c15d172651ff45bc [0,2,0,0,0,0|2,0,0]=4 949 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,2,0,0,0,0|2,0,0]=4 950 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,2,0,0,0,0|2,0,0]=4 951 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,2,0,0,0,0|2,0,0]=4 952 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,2,0,0,0,0|2,0,0]=4 953 B8R0.9 CCN(C)COC(=O)C 662418b9fd851b02bfa0c21ae20e504d [0,2,0,0,0,0|2,0,0]=4 954 B8R0.9 CCN(C)CSC(=O)N adc277bb406ecaf954503ab4cdfcb5b9 [0,2,0,0,0,0|2,0,0]=4 955 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,2,0,0,0,0|1,0,0]=3 956 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,2,0,0,0,0|1,0,0]=3 957 B8R0.9 CC[C@@H](C)NC[N+](=O)[O-] 196855ed8a578e4d6ce39740ba6a0275 [0,2,0,0,0,0|2,0,0]=4 958 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,2,0,0,0,0|1,0,0]=3 959 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,2,0,0,0,0|1,0,0]=3 960 B8R0.9 CC[C@@H](C)OC[N+](=O)[O-] 3415ab0ca8c4567cbd4a2ab0de4e9f06 [0,2,0,0,0,0|2,0,0]=4 961 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,2,0,0,0,0|2,0,0]=4 962 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,2,0,0,0,0|1,0,0]=3 963 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,2,0,0,0,0|1,0,0]=3 964 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,2,0,0,0,0|1,0,0]=3 965 B8R0.9 CC[C@H](C)NC[N+](=O)[O-] 235d75636034ba6aeae1eb82d8162dd7 [0,2,0,0,0,0|2,0,0]=4 966 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,2,0,0,0,0|1,0,0]=3 967 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,2,0,0,0,0|1,0,0]=3 968 B8R0.9 CC[C@H](C)OC[N+](=O)[O-] 877aace2ab2b46fdfe559ad10cf92335 [0,2,0,0,0,0|2,0,0]=4 969 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,2,0,0,0,0|0,1,0]=3 970 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,2,0,0,0,0|0,1,0]=3 971 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,2,0,0,0,0|2,0,0]=4 972 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,2,0,0,0,0|2,0,0]=4 973 B8R0.9 C[C@H](C=O)NCC(=O)N ef543a8173a46829d7a3deea97b641bf [0,2,0,0,0,0|2,0,0]=4 974 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,2,0,0,0,0|2,0,0]=4 975 B8R0.9 C[C@H](C=O)OCC(=O)N 0891ae8d42b8c64aeeb2a884817c9c4b [0,2,0,0,0,0|2,0,0]=4 976 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,2,0,0,0,0|2,0,0]=4 977 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,2,0,0,0,0|2,0,0]=4 978 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,2,0,0,0,0|2,0,0]=4 979 B8R0.9 C[C@H](CS)OCC(=O)N 99b35c1160d6521244a3a6571fb38a94 [0,2,0,0,0,0|2,0,0]=4 980 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,2,0,0,0,0|2,0,0]=4 981 B8R0.11 C#CC(CC)OCC=O 6fefb61edd2e8e2475e58f9b91cf6195 [0,2,0,0,0,0|1,0,1]=4 982 B8R0.11 C=CC(CC)OCC=O bcc08209503a879d155ff76cac2817f1 [0,2,0,0,0,0|1,0,1]=4 983 B8R0.11 C=CCNC(CC)CC c87d218a8871388b6a2cdbd13cdd9d88 [0,2,0,0,0,0|2,0,0]=4 984 B8R0.11 C=CCNC(CC)CO b799cd82e5074fd5b37afaf8b4b4c65c [0,2,0,0,0,0|2,0,0]=4 985 B8R0.11 C=CCN[C@@H](CC)CO 6fb5b02744e8b8591abf79841e3e48e4 [0,2,0,0,0,0|2,0,0]=4 986 B8R0.11 C=CCN[C@H](CC)CO 490621c31d43cdcee71b80e0f765530f [0,2,0,0,0,0|2,0,0]=4 987 B8R0.11 C=CCOC(CC)CC 1834abc88f7b6c957a347a605ec7ae2d [0,2,0,0,0,0|2,0,0]=4 988 B8R0.11 C=C[C@@H](CO)NCC=O 96c62156ed48d64dc2a89031f5b19033 [0,2,0,0,0,0|1,0,1]=4 989 B8R0.11 CCC(C#N)OCC=O 251eab7b5166001569a0759e3e518cd8 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.11 CCC(CC)CNC=O 0da79cf943d9a8666a9700a2e2e9d7c2 [0,2,0,0,0,0|1,0,0]=3 991 B8R0.11 CCC(CC)NCC=O 66280cf687d8bf89fcc5bb7b86c23426 [0,2,0,0,0,0|1,0,0]=3 992 B8R0.11 CCC(CC)OCC=O f1bfaa22ce246d2b20a4566127462c21 [0,2,0,0,0,0|1,0,0]=3 993 B8R0.11 CCC(CO)CNC=O c5363c7642167dc42bef36aeb0412d90 [0,2,0,0,0,0|1,0,0]=3 994 B8R0.11 CCC(CO)NCC=O 36b8c180c423d05a287bbf37daf06e14 [0,2,0,0,0,0|1,0,0]=3 995 B8R0.11 CC[C@@H](CO)NCC=O 10f83f8629097d9496f09b4be9046d3f [0,2,0,0,0,0|1,0,0]=3 996 B8R0.11 CC[C@H](CO)NCC=O e160cd29fcd44c5f7399de9cf9ca258f [0,2,0,0,0,0|1,0,0]=3 997 B8R0.11 COC(CNC=O)OC 0c38a158842ed7f3880c5c5bbd35734f [0,2,0,0,0,0|0,1,0]=3 998 B8R0.11 CO[C@@H](CO)CNC=O 8a7cda371cd7c58b3d3d3a1f3b98c540 [0,2,0,0,0,0|0,1,0]=3 999 B8R0.11 O=CCNC(CO)CO 366e76df9a117064ff74d57082453e8a [0,2,0,0,0,0|2,0,0]=4 1000 B8R0.11 O=CCOC(CBr)CBr 98951f7108d1d270a02364cbe64e0bfa [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.11 O=CCOC(CCl)CBr 32668120dbbb2b30f0fac4c621bfe84c [0,2,0,0,0,0|2,0,0]=4 1002 B8R0.11 O=CCOC(CCl)CCl 9af1926b15711c90a5cbe73c1c70373b [0,2,0,0,0,0|2,0,0]=4 1003 B8R0.11 O=CCOC(CF)CF 7a663877f219a92589d4f369d4b529d2 [0,2,0,0,0,0|2,0,0]=4 1004 B8R0.11 O=CCO[C@@H](CCl)CI 16351a133a0aa4427cc2649002e53394 [0,2,0,0,0,0|2,0,0]=4 1005 B8R0.11 O=CCO[C@H](CCl)CI d50fd553f4a65d74faeceda4be82465a [0,2,0,0,0,0|2,0,0]=4 1006 B8R0.11 O=CNCC(CO)CO 5dab1757f6920def9532ee107cc1510d [0,2,0,0,0,0|2,0,0]=4 1007 B8R0.25 C#CC(C)(C)NCC=O 9a0a9386613a60d0b0901089ea693e04 [0,2,0,0,0,0|1,0,1]=4 1008 B8R0.25 C=CCNC(C)(C)CC bfbf2a024d31f802cc5c9cc651f4c494 [0,2,0,0,0,0|2,0,0]=4 1009 B8R0.25 CC(C)(C#N)CNC=O 1f2ac0ee157140ed033aa2ea5b69e387 [0,2,0,0,0,0|2,0,0]=4 1010 B8R0.25 CC(C)(C#N)NCC=O 31faa4476e6f9451a91342c4f5b27055 [0,2,0,0,0,0|2,0,0]=4 1011 B8R0.25 CC(C)(CF)CNC=O 7ddc66f6fc58f0c22186ae6faa7c4403 [0,2,0,0,0,0|2,0,0]=4 1012 B8R0.25 CC(C)(CF)NCC=O e5b32dafbddecefbf66d873fb4b082ed [0,2,0,0,0,0|2,0,0]=4 1013 B8R0.25 CC(C)(CO)CNC=O eb6bebe29368584330c3a398b8ebddbc [0,2,0,0,0,0|2,0,0]=4 1014 B8R0.25 CC(C)(CO)NCC=O e943279e878f7a41a900e438e4df9f58 [0,2,0,0,0,0|2,0,0]=4 1015 B8R0.25 CCC(C)(C)CNC=O bfe9719bdf7704885d6bfbc86c30f02f [0,2,0,0,0,0|1,0,0]=3 1016 B8R0.25 CCC(C)(C)NCC=O aa9ffe26ec7f03a9fb85bbb0f3a65039 [0,2,0,0,0,0|1,0,0]=3 1017 B8R0.25 CCC(C)(O)CNC=O 9e4389f6bd3420fa20ce5c3bc35a06da [0,2,0,0,0,0|1,0,0]=3 1018 B8R0.25 COC(C)(C)CNC=O accad4ec9dde386589aca608b0787b60 [0,2,0,0,0,0|0,1,0]=3 1019 B8R0.12 CC(=O)C(C)(C)NC=O 66000aa625d9658267656a5feda157f5 [0,2,0,0,0,0|2,0,0]=4 1020 B8R0.12 CC(C)C(C)(C)NC=O c402f6696d611e09edd2237c8f5bf6a6 [0,2,0,0,0,0|2,0,0]=4 1021 B8R0.12 CC(O)C(C)(C)NC=O baa26213b2b0dc840cfed48f0aff720a [0,2,0,0,0,0|2,0,0]=4 1022 B8R0.14 CC(NC=O)C(C)(C)C fcef1a250c1c4099b4a29dc26795c6db [0,2,0,0,0,0|2,0,0]=4 1023 B8R0.14 CC(NC=O)C(C)(C)O 17b49fa3c39bdcf993668c9b144c55dd [0,2,0,0,0,0|2,0,0]=4 1024 B8R0.14 CN(CC=O)C(C)(C)C cc5a0344874cb95173664729bbc91e88 [0,2,0,0,0,0|2,0,0]=4 1025 B8R0.14 C[C@@H](NC=O)C(C)(C)C c179246283054fd4720ee38830490376 [0,2,0,0,0,0|2,0,0]=4 1026 B8R0.14 C[C@@H](NC=O)C(C)(C)O b7357b820d94752478e777402a5aaaa9 [0,2,0,0,0,0|2,0,0]=4 1027 B8R0.14 C[C@H](NC=O)C(C)(C)C a3f14ca609de76f7af36c75fcb017143 [0,2,0,0,0,0|2,0,0]=4 1028 B8R0.14 C[C@H](NC=O)C(C)(C)O 76e8e13c27f363e997cd96693e783817 [0,2,0,0,0,0|2,0,0]=4 1029 B8R0.15 CC(C)C(CO)NC=O 4599dc089ca4ab41dc809b8f9c57ccf3 [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.15 CC(C)[C@@H](CO)NC=O 0d34adc915a51568adfe220e0d745358 [0,2,0,0,0,0|2,0,0]=4 1031 B8R0.15 CC(C)[C@H](CO)NC=O da96439986266663459f7b0f7a55fa34 [0,2,0,0,0,0|2,0,0]=4 1032 B8R0.15 CC(O)C(CO)NC=O a83bc38d243cc7dd66411dfc7cf616cd [0,2,0,0,0,0|2,0,0]=4 1033 B8R0.15 CCC(NC=O)C(C)C 86a28708d965127a5e35d4108bf4acb6 [0,2,0,0,0,0|2,0,0]=4 1034 B8R0.15 CCN(CC=O)C(C)C 37df5b9c5ada4224907597a94625cdec [0,2,0,0,0,0|2,0,0]=4 1035 B8R0.15 CC[C@@H](NC=O)[C@@H](C)O dcbfa4659400af50282bc5c1c117a823 [0,2,0,0,0,0|2,0,0]=4 1036 B8R0.15 CC[C@@H](NC=O)[C@H](C)O c5c798676e16c000997108bcf4ad0269 [0,2,0,0,0,0|2,0,0]=4 1037 B8R0.15 CC[C@H](NC=O)[C@@H](C)O 42d26958659efe0c5f860a37090bf7bf [0,2,0,0,0,0|2,0,0]=4 1038 B8R0.15 C[C@@H](O)[C@@H](CO)NC=O 71ce75effa13d34289145c161a9a07ed [0,2,0,0,0,0|2,0,0]=4 1039 B8R0.15 C[C@@H](O)[C@H](CO)NC=O 436bf598ce041da1afe592374d3894b2 [0,2,0,0,0,0|2,0,0]=4 1040 B8R0.15 C[C@H](O)[C@@H](CO)NC=O 99a1ba04e6ecf906863dabb1ce42f800 [0,2,0,0,0,0|2,0,0]=4 1041 B8R0.15 C[C@H](O)[C@H](CO)NC=O e7ebcffbd2ba75496d597e99f574d8f3 [0,2,0,0,0,0|2,0,0]=4 1042 B8R0.22 CCC(CC#N)NC=O ba773f485fe917b32fd2162e6d6e2c97 [0,2,0,0,0,0|2,0,0]=4 1043 B8R0.22 CCC(COC)NC=O 53905710bc62d6f533f443331f56e2bc [0,2,0,0,0,0|1,1,0]=4 1044 B8R0.22 CCCC(CO)NC=O 41f5afc0296d6847bc820d8afc2b5787 [0,2,0,0,0,0|2,0,0]=4 1045 B8R0.22 CCCN(CC)CC=O 10f91472c4600bbc31b6ae1008baca40 [0,2,0,0,0,0|2,0,0]=4 1046 B8R0.22 CCC[C@@H](CO)NC=O 3c94a70b3970ecaf12f548b2138bdede [0,2,0,0,0,0|2,0,0]=4 1047 B8R0.22 CCC[C@H](CO)NC=O 930af0e5fd8674584b8a8514e2d4657f [0,2,0,0,0,0|2,0,0]=4 1048 B8R0.22 CCN(CC#N)CC=O a9747b143d6ef4dd2872ba6e1e683195 [0,2,0,0,0,0|2,0,0]=4 1049 B8R0.22 CCN(CC=O)CCCl 4ed90969909b022e2ac83da8060f9efc [0,2,0,0,0,0|2,0,0]=4 1050 B8R0.22 CCN(CC=O)CCO 97dbc0347b45240747141aa67b4d0675 [0,2,0,0,0,0|2,0,0]=4 1051 B8R0.22 CC[C@@H](CC#N)NC=O d1d8f2fe5eae06eb9750607c79e07f98 [0,2,0,0,0,0|2,0,0]=4 1052 B8R0.22 CC[C@H](CC#N)NC=O fabf20f5d4e21823e8aa2b7704696426 [0,2,0,0,0,0|2,0,0]=4 1053 B8R0.22 COCC(CO)NC=O 7cb927b980bd90d760ca02f17ab63be0 [0,2,0,0,0,0|1,1,0]=4 1054 B8R0.22 CSCC(CO)NC=O dbcc07b4bda20d44a07ec89880e75884 [0,2,0,0,0,0|1,0,0]=3 1055 B8R0.22 O=CCN(CO)CCO 2b815b0b958039d51c66791793833e59 [0,2,0,0,0,0|2,0,0]=4 1056 B8R0.22 O=CNC(CO)CCO 1c386d33bbd7c581f75e6c17d6cd6e2e [0,2,0,0,0,0|2,0,0]=4 1057 B8R0.22 O=CN[C@@H](CO)CCO eb8f36be4729f323a89920f2afd3da27 [0,2,0,0,0,0|2,0,0]=4 1058 B8R0.30 CC(C)(CCO)NC=O 891404ec31955bcc8f89b5b47dc12dc8 [0,2,0,0,0,0|2,0,0]=4 1059 B8R0.30 COCC(C)(C)NC=O bc842487dd6105675988088f36c24b44 [0,2,0,0,0,0|1,1,0]=4 1060 B8R0.30 CSCC(C)(C)NC=O 6a2b278b615a8d3027c03a5b693d9473 [0,2,0,0,0,0|1,0,0]=3 1061 B8R0.13 CCC(C)(C)N(C)C=O 47b2b4eced2b2491cbc68bbc7487dd12 [0,2,0,0,0,0|2,0,0]=4 1062 B8R0.20 CCC(C=O)N(C)CC 6cd7fea7d913ebc4dd115f632f3cdadb [0,2,0,0,0,0|2,0,0]=4 1063 B8R0.20 CCC(CC)N(C)C=O a695b72f2adae00a27f64539765ed93c [0,2,0,0,0,0|2,0,0]=4 1064 B8R0.20 CCN(C)C(C#N)C=O ce10f98ee2ebc23d24d418011ffa61bf [0,2,0,0,0,0|2,0,0]=4 1065 B8R0.20 CCN(C)C(C=O)C=O 24024932962d3ae2db523d915372330c [0,2,0,0,0,0|2,0,0]=4 1066 B8R0.31 C#CC(C)(CC)NC=O b54c13dfaa36b9b36b91ad11381fbfb7 [0,2,0,0,0,0|2,0,0]=4 1067 B8R0.31 CCC(C)(C#N)NC=O 1ca0819886dedf3b73dba71041c51fcc [0,2,0,0,0,0|2,0,0]=4 1068 B8R0.31 CCC(C)(CC)NC=O 762a2a667210d0de1a4458d599d6ab2d [0,2,0,0,0,0|2,0,0]=4 1069 B8R0.31 CCC(C)(CO)NC=O a4d1c715abaa1c2ba8d1506ca165bebc [0,2,0,0,0,0|2,0,0]=4 1070 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [1,0,0,1,0,0|1,0,0]=3 1071 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,1,0,0|2,0,0]=4 1072 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,1,0,1,0,0|1,0,0]=3 1073 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,1,0,1,0,0|2,0,0]=4 1074 B8R1.1 CN1CCN(C1)C=O 8b7db25ff5974733ece4d3fc3a4817d7 [0,1,0,1,0,0|2,0,0]=4 1075 B8R1.1 O=CN1CCC(C1)F 96284cdc191c7cba11f6a402b8eb117c [0,1,0,1,0,0|2,0,0]=4 1076 B8R1.1 O=CN1CCC(C1)O 36bb47eb3389f04fbd153dabfa4995ad [0,1,0,1,0,0|2,0,0]=4 1077 B8R1.1 O=CN1CC[C@@H](C1)F 008cec7e125285aba69bdec89e8d8fbf [0,1,0,1,0,0|2,0,0]=4 1078 B8R1.1 O=CN1CC[C@@H](C1)O 75171cfcb992bb0c611e45c07ca0c61c [0,1,0,1,0,0|2,0,0]=4 1079 B8R1.1 O=CN1CC[C@H](C1)F 27a4a903f78fd10dcf90e00458f77a70 [0,1,0,1,0,0|2,0,0]=4 1080 B8R1.1 O=CN1CC[C@H](C1)O 4d35040bdf5a1607b14717edf31c1dc0 [0,1,0,1,0,0|2,0,0]=4 1081 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,1,0,1,0,0|2,0,0]=4 1082 B8R1.34 CC(=O)NC1CCC1 46894fd3aa8761205eba8795d61a04cf [0,1,0,1,0,0|2,0,0]=4 1083 B8R1.34 NC(=O)CN1CCC1 6c3508be38699fc0f43e1dd694ce2a15 [0,1,0,1,0,0|2,0,0]=4 1084 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,1,0,1,0,0|2,0,0]=4 1085 B8R1.9 C=CCNC1CC1C b0ff888915c2d21b161d67161a001a2b [0,1,0,1,0,0|2,0,0]=4 1086 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [0,1,0,1,0,0|1,0,0]=3 1087 B8R1.9 O=CCN[C@@H]1C[C@H]1F 1b30ed4a609cd2619bcd787e45fd7f37 [0,1,0,1,0,0|2,0,0]=4 1088 B8R1.9 O=CCN[C@H]1C[C@@H]1F a1495db808f21a1e52da1e1d9590d29a [0,1,0,1,0,0|2,0,0]=4 1089 B8R1.9 O=CCN[C@H]1C[C@H]1F 317579e6fc51976ad113a70571610a12 [0,1,0,1,0,0|2,0,0]=4 1090 B8R1.10 C=CCNC1CCC1 f7b1e125826a8d6464115b8b7cff4769 [0,1,0,1,0,0|2,0,0]=4 1091 B8R1.10 C=CCOC1CCC1 3bd9e905931a1a521265c072e91c50d4 [0,1,0,1,0,0|2,0,0]=4 1092 B8R1.10 O=CCCN1CCC1 8fc22dace4a53f5fd2e5bf24e18f5eea [0,1,0,1,0,0|2,0,0]=4 1093 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [0,1,0,1,0,0|1,0,0]=3 1094 B8R1.10 O=CCNC1COC1 1d6ece322c89f3d7cc823190a32662af [0,1,0,1,0,0|2,0,0]=4 1095 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [0,1,0,1,0,0|1,0,0]=3 1096 B8R1.10 O=CCOC1COC1 e8dcab4996958c28de59c791e8f90325 [0,1,0,1,0,0|2,0,0]=4 1097 B8R1.10 O=CCOC1CSC1 9f33472b8125f904d8c6a38b30ae6e0f [0,1,0,1,0,0|2,0,0]=4 1098 B8R1.10 O=CNCC1CCC1 8913f5bd1f8df32bedea9e3deac9ac7d [0,1,0,1,0,0|1,0,0]=3 1099 B8R1.10 O=CNCC1CCO1 1b9d337743db60b895698b8aaa786ab4 [0,1,0,1,0,0|0,1,0]=3 1100 B8R1.10 O=CNCC1COC1 d484a9f6109f51ef1467473a4d9493ff [0,1,0,1,0,0|2,0,0]=4 1101 B8R1.10 O=CNC[C@@H]1CCO1 fadf694024bd0fc6277f2beb85e4b394 [0,1,0,1,0,0|0,1,0]=3 1102 B8R1.10 O=CNC[C@H]1CCO1 26d38116a4b219b0d68fd14a2b690dd1 [0,1,0,1,0,0|0,1,0]=3 1103 B8R1.13 CC1OCC1NC=O f9b5eeed2f9956371d02a0585d89de6e [0,1,0,1,0,0|0,1,0]=3 1104 B8R1.13 C[C@@H]1CC[C@@H]1NC=O 832ca8b43ce77bd607bafce837c26208 [0,1,0,1,0,0|1,0,0]=3 1105 B8R1.13 C[C@@H]1CC[C@H]1NC=O d2720f62c3566f7476bb8bd3bbb32a7b [0,1,0,1,0,0|1,0,0]=3 1106 B8R1.13 O=CNC1CCC1F e99322470d72654c68e8cc3b0db230df [0,1,0,1,0,0|2,0,0]=4 1107 B8R1.13 O=CNC1CCC1O 77e73a0cb4e5ad431641f250066379fd [0,1,0,1,0,0|2,0,0]=4 1108 B8R1.13 O=CN[C@@H]1CC[C@@H]1O 9be330af07ef7a68a61722f62097919e [0,1,0,1,0,0|2,0,0]=4 1109 B8R1.13 O=CN[C@@H]1CC[C@H]1O a74500781f0881ab291899b8727dffc0 [0,1,0,1,0,0|2,0,0]=4 1110 B8R1.13 O=CN[C@H]1CC[C@@H]1O f6c564b97b260290e49358d20aaec1a0 [0,1,0,1,0,0|2,0,0]=4 1111 B8R1.13 O=CN[C@H]1CC[C@H]1O 126bd3309ad6ca2ddfb41ff376dce6e2 [0,1,0,1,0,0|2,0,0]=4 1112 B8R1.17 CO[C@H]1C[C@H]1NC=O 1b79bd8913fb3b88422ac4c515f2fdfc [0,1,0,1,0,0|0,1,0]=3 1113 B8R1.17 N#CNC1CC1C=O e7a395fa867919643746888c9e72409f [0,1,0,1,0,0|1,0,1]=4 1114 B8R1.17 O=CN[C@@H]1C[C@H]1CO 10a8417564f04103fe2c352e0df4f7b1 [0,1,0,1,0,0|2,0,0]=4 1115 B8R1.17 O=CN[C@H]1C[C@@H]1CO fcec26220579a84c0c9bdf6d03f8b348 [0,1,0,1,0,0|2,0,0]=4 1116 B8R1.17 O=CN[C@H]1C[C@H]1CO ea8cc98580a13b71ee31b79f516fe4f2 [0,1,0,1,0,0|2,0,0]=4 1117 B8R1.38 CC(C=O)N1CCC1 b3b552e7b160cd5acb51c776f72f7634 [0,1,0,1,0,0|2,0,0]=4 1118 B8R1.38 C[C@H](C=O)N1CCC1 92650f4896a859e9500741deb7ae1705 [0,1,0,1,0,0|2,0,0]=4 1119 B8R1.41 C=CCNC1(CC1)C 4048a4383a79efb1bd693d29045e86e7 [0,1,0,1,0,0|2,0,0]=4 1120 B8R1.41 CC1(CC1)NCC=O 789ed2365d3b2b60268410f6763ad79b [0,1,0,1,0,0|1,0,0]=3 1121 B8R1.41 O=CNCC1(CC1)F 871b8e362c3da0fdce3d8e0abaca9a31 [0,1,0,1,0,0|2,0,0]=4 1122 B8R1.41 O=CNCC1(CC1)O 026bf04773c1cd53998b7f56de6bf467 [0,1,0,1,0,0|2,0,0]=4 1123 B8R1.47 CCC1CN(C1)C=O 9645ce44596bcd4aa700308ce0a15fd2 [0,1,0,1,0,0|1,0,0]=3 1124 B8R1.47 CCN1CC(C1)SC 8746f03668c7e744efe9613af29b4486 [0,1,0,1,0,0|1,0,1]=4 1125 B8R1.47 COC1CN(C1)C=O 6ae02e7371cb34231d2c8b7c1761233f [0,1,0,1,0,0|0,1,0]=3 1126 B8R1.47 CSC1CN(C1)C=O 3e599a49c3beebe60d5d28a097e005b4 [0,1,0,1,0,0|0,0,0]=2 1127 B8R1.47 CSC1CN(C1)CF 3808995cd42a6875ed2d66d523d22694 [0,1,0,1,0,0|1,0,1]=4 1128 B8R1.47 CSC1CN(C1)CO b0c032e9b228ef64abf41d3555db6ca0 [0,1,0,1,0,0|0,0,2]=4 1129 B8R1.47 N#CC1CN(C1)C=O f993435f4c4b335574a82496620e6c12 [0,1,0,1,0,0|2,0,0]=4 1130 B8R1.47 O=CN1CC(C1)CF 125853e913eeb87cf13a0ad83bade73e [0,1,0,1,0,0|2,0,0]=4 1131 B8R1.47 O=CN1CC(C1)CO 9e50403ad99f4cbde879e40a47f3fc76 [0,1,0,1,0,0|2,0,0]=4 1132 B8R1.27 CC1(CC1NC=O)C 1eba7b19977ef6314debf1d7d2b38b51 [0,1,0,1,0,0|2,0,0]=4 1133 B8R1.27 CC1(CN1CC=O)C 079c8663ebf5941900323baa2b372da1 [0,1,0,1,0,0|2,0,0]=4 1134 B8R1.27 CC1(C[C@@H]1NC=O)C 4c0edb90401b625188d015207fc18655 [0,1,0,1,0,0|2,0,0]=4 1135 B8R1.27 CC1(C[C@H]1NC=O)C ccea647979ee4862d824980bf0f41c3e [0,1,0,1,0,0|2,0,0]=4 1136 B8R1.37 CN(CC=O)C1CC1 da61bbfc7021687d89d59d54bd0f05ba [0,1,0,1,0,0|2,0,0]=4 1137 B8R1.37 C[C@@H](NC=O)C1CC1 6df7776a8a6084e948c30aaa6bcc8106 [0,1,0,1,0,0|2,0,0]=4 1138 B8R1.37 C[C@H](NC=O)C1CC1 a44318147b26c551e56d43565edc198d [0,1,0,1,0,0|2,0,0]=4 1139 B8R1.6 CCOC1CC(=O)C1 7245371a51b98874574252c09e474e49 [0,1,0,1,0,0|0,1,0]=3 1140 B8R1.6 CN1CC(C1)NC=O 2bb9fe7b14eef0f45302baaf417a686a [0,1,0,1,0,0|2,0,0]=4 1141 B8R1.6 O=C1CC(C1)OCF c33823c82929be54a27457e340273af2 [0,1,0,1,0,0|0,1,0]=3 1142 B8R1.6 O=CCN1CC(C1)F 7167532f6af44ef8118ab6a0997eb38b [0,1,0,1,0,0|2,0,0]=4 1143 B8R1.6 O=CCN1CC(C1)O 05c491e4c8809ba1f982b958ba6277d0 [0,1,0,1,0,0|2,0,0]=4 1144 B8R1.6 O=CNC1CC(C1)O 0f0e219872cea0d90b55ea99cc9bac7d [0,1,0,1,0,0|2,0,0]=4 1145 B8R1.6 O=CN[C@H]1C[C@@H](C1)O 997cc39f2c608872229bb298dcf4a06f [0,1,0,1,0,0|2,0,0]=4 1146 B8R1.6 O=CN[C@H]1C[C@H](C1)O 66b7baee91e54b401401d333ec9a6247 [0,1,0,1,0,0|2,0,0]=4 1147 B8R1.8 C=CCN1CCSC1 c7bae508a3ddd5996edad585492313e9 [0,1,0,1,0,0|2,0,0]=4 1148 B8R1.8 CCNC1CC=CC1 a91d0c1c4516e5b7b75119739c97d720 [0,1,0,1,0,0|2,0,0]=4 1149 B8R1.8 CCOC1CC=CC1 e0d02274580f3ec492bcb66ee71bce9b [0,1,0,1,0,0|1,1,0]=4 1150 B8R1.8 CSCN1CC=CC1 bf24d8e5e82ec3c30bb01a4e9def2061 [0,1,0,1,0,0|2,0,0]=4 1151 B8R1.8 FCNC1CC=CC1 65a83c09ca5a20a0ad36cfc0ce200992 [0,1,0,1,0,0|2,0,0]=4 1152 B8R1.8 FCOC1CC=CC1 05e1d32c9cdba73ccf010ae1e90a4e99 [0,1,0,1,0,0|1,1,0]=4 1153 B8R1.8 O=CCN1CCSC1 14861ad96d7cd5c90441f6d38859a442 [0,1,0,1,0,0|1,0,0]=3 1154 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [0,1,0,1,0,0|2,0,0]=4 1155 B8R1.8 O=CNC1CCOC1 e7b13204a0b810870373335ae06b13c2 [0,1,0,1,0,0|1,1,0]=4 1156 B8R1.8 O=CNC1CCSC1 82c5edb5966e6ade7f67bb51f82f09ea [0,1,0,1,0,0|1,0,0]=3 1157 B8R1.8 O=CN[C@@H]1CCOC1 8b6fe9f11693342d0eb8e36d1ad51ff3 [0,1,0,1,0,0|1,1,0]=4 1158 B8R1.8 O=CN[C@H]1CCOC1 f295aedd4a6355b7f9c423148debde31 [0,1,0,1,0,0|1,1,0]=4 1159 B8R1.8 OCNC1CC=CC1 9c22df50844f066c11f1cd68877452aa [0,1,0,1,0,0|2,0,0]=4 1160 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,1,0,1,0,0|2,0,0]=4 1161 B8R1.11 CC1SCCN1C=O a4140bf0d296ba848f3453d4bea5de05 [0,1,0,1,0,0|1,0,0]=3 1162 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,1,0,1,0,0|2,0,0]=4 1163 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,1,0,1,0,0|2,0,0]=4 1164 B8R1.16 CC1CC(N1C=O)C 68c6aa262d7808ae64f1cc90fbae1b29 [0,1,0,1,0,0|2,0,0]=4 1165 B8R1.16 C[C@@H]1C[C@@H](N1C=O)C 860cbeb088034e7b4fcbfe6227656475 [0,1,0,1,0,0|2,0,0]=4 1166 B8R1.16 C[C@@H]1C[C@H](N1C=O)C a942dc7508eed2df043adb56af93c0ca [0,1,0,1,0,0|2,0,0]=4 1167 B8R1.16 C[C@H]1C[C@@H](N1C=O)C e7d0a04d7866353e7bd9f9d9825a0417 [0,1,0,1,0,0|2,0,0]=4 1168 B8R1.66 CC1(CCC1)NC=O c4f5dcbe0c8abcae670d3c633c591542 [0,1,0,1,0,0|2,0,0]=4 1169 B8R1.66 CC1(CSC1)NC=O ac457225714b1c6c4a8f7f67f00588e6 [0,1,0,1,0,0|1,0,0]=3 1170 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [0,1,0,1,0,0|2,0,0]=4 1171 B8R1.12 O=CN1CCC1CO edd971460a08454ceeb6be017da9f618 [0,1,0,1,0,0|2,0,0]=4 1172 B8R1.12 O=CN1CC[C@@H]1CO ce19f0bce3454d05cb7c121458132ef7 [0,1,0,1,0,0|2,0,0]=4 1173 B8R1.12 O=CN1CC[C@H]1CO e22630134adf9d5eaa8ff5bdd2c4924a [0,1,0,1,0,0|2,0,0]=4 1174 B8R1.39 CN(C=O)C1(CC1)C 22570dab61264ed4f7022e7238373781 [0,1,0,1,0,0|2,0,0]=4 1175 B8R1.82 O=CNC1(CC1)CO 37e75ded51c8f87738268b18fa9e914d [0,1,0,1,0,0|2,0,0]=4