0 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,1,0,0,0,0|1,0,2]=4 1 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [0,1,0,0,0,0|3,0,0]=4 2 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,1,0,0,0,0|3,0,0]=4 3 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,1,0,0,0,0|0,0,2]=4 4 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,2,0,0,0,0|2,0,0]=4 5 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,2,0,0,0,0|2,0,0]=4 6 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,2,0,0,0,0|2,0,0]=4 7 B6R0.1 N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [0,2,0,0,0,0|2,0,0]=4 8 B6R0.1 N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,2,0,0,0,0|0,0,2]=4 9 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,2,0,0,0,0|2,0,0]=4 10 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,2,0,0,0,0|2,0,0]=4 11 B6R0.4 C=C(Br)CNC#N a2b62f214b73ab3b66b1dc0e6001e25f [0,2,0,0,0,0|2,0,0]=4 12 B6R0.4 C=C(Br)CNC=O 2e020a236ab831176aea02028302e186 [0,2,0,0,0,0|2,0,0]=4 13 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,2,0,0,0,0|2,0,0]=4 14 B6R0.4 C=C(Br)CNCF 7c97187d15161b8d316e611ae308f21e [0,2,0,0,0,0|2,0,0]=4 15 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [0,2,0,0,0,0|2,0,0]=4 16 B6R0.4 C=C(C)CNC#N d9b89b4c8025f48614cd8e95d5f70606 [0,2,0,0,0,0|2,0,0]=4 17 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,2,0,0,0,0|2,0,0]=4 18 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,2,0,0,0,0|2,0,0]=4 19 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,2,0,0,0,0|2,0,0]=4 20 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,2,0,0,0,0|2,0,0]=4 21 B6R0.4 C=C(Cl)CNC#N a9feec053b2ae83e6c821afbad367af3 [0,2,0,0,0,0|2,0,0]=4 22 B6R0.4 C=C(F)CNC#N fdddf59652fe284b7d928c8bb4c4675b [0,2,0,0,0,0|2,0,0]=4 23 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,2,0,0,0,0|1,0,0]=3 24 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,2,0,0,0,0|1,0,0]=3 25 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,2,0,0,0,0|1,0,0]=3 26 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,2,0,0,0,0|2,0,0]=4 27 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,2,0,0,0,0|1,0,1]=4 28 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,2,0,0,0,0|2,0,0]=4 29 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,2,0,0,0,0|2,0,0]=4 30 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,2,0,0,0,0|2,0,0]=4 31 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,2,0,0,0,0|2,0,0]=4 32 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,2,0,0,0,0|2,0,0]=4 33 B6R0.4 CC(O)CNC#N f1c6c355e50ceab4bc37c7398481619a [0,2,0,0,0,0|1,0,1]=4 34 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [0,2,0,0,0,0|1,0,1]=4 35 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [0,2,0,0,0,0|1,0,1]=4 36 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,2,0,0,0,0|1,0,1]=4 37 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,2,0,0,0,0|1,0,0]=3 39 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,2,0,0,0,0|1,0,0]=3 40 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,2,0,0,0,0|0,0,0]=2 41 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,2,0,0,0,0|1,0,1]=4 42 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,2,0,0,0,0|1,0,1]=4 44 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,2,0,0,0,0|2,0,0]=4 45 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,2,0,0,0,0|2,0,0]=4 46 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,2,0,0,0,0|2,0,0]=4 48 B6R0.4 C[C@@H](O)CNC#N e3345931a28baeaadc1130dfdade6003 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [0,2,0,0,0,0|1,0,1]=4 51 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,2,0,0,0,0|1,0,1]=4 52 B6R0.4 C[C@H](O)CNC#N 269e98544ebb3ff67d9e1081dfeb62f0 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,2,0,0,0,0|1,0,1]=4 56 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [0,2,0,0,0,0|0,0,0]=2 58 B6R0.4 N#CNC[N+](=O)[O-] 4dc5b8c7a0dfce89f524dce666b6500f [0,2,0,0,0,0|1,0,1]=4 59 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,2,0,0,0,0|1,0,0]=3 60 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,2,0,0,0,0|1,0,0]=3 61 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,2,0,0,0,0|1,0,0]=3 62 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,2,0,0,0,0|2,0,0]=4 63 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,2,0,0,0,0|0,0,0]=2 64 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,2,0,0,0,0|0,0,0]=2 65 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,2,0,0,0,0|1,0,0]=3 66 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [0,2,0,0,0,0|2,0,0]=4