0 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,1,0,0,0,0|1,0,1]=3 1 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [0,1,0,0,0,0|2,0,0]=3 2 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,1,0,0,0,0|1,0,1]=4 3 B6R0.1 C#CC(C)NC=O 50c944dc0c2f52246cf2f8b75f249da5 [0,2,0,0,0,0|1,0,1]=4 4 B6R0.1 C#CCN(C)C=O ddfa5ba776054c2a7c5ce6a0cde7a3ee [0,2,0,0,0,0|2,0,0]=4 5 B6R0.1 C#C[C@@H](C)NC=O 4fee702505a1fdefb270b5b6e9eb7aa3 [0,2,0,0,0,0|1,0,1]=4 6 B6R0.1 C#C[C@H](C)NC=O 55f7e717dc246fc1c154a9332387447d [0,2,0,0,0,0|1,0,1]=4 7 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,2,0,0,0,0|1,0,0]=3 8 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,2,0,0,0,0|1,0,0]=3 9 B6R0.1 C=CC(=O)NC#N 50ba705a66c9756487ecf5ee06f1b175 [0,2,0,0,0,0|1,0,1]=4 10 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,2,0,0,0,0|1,0,1]=4 11 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [0,2,0,0,0,0|2,0,0]=4 12 B6R0.1 CC(C#N)NC=O bab971dbe2c7155864d30c197f73349b [0,2,0,0,0,0|1,0,1]=4 13 B6R0.1 CC(C=O)NC#N 4334a96823d7b333d7c55841b70479fe [0,2,0,0,0,0|1,0,1]=4 14 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,2,0,0,0,0|0,0,2]=4 15 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,2,0,0,0,0|0,0,2]=4 16 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,2,0,0,0,0|1,0,1]=4 17 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,2,0,0,0,0|1,0,1]=4 18 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,2,0,0,0,0|2,0,0]=4 19 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,2,0,0,0,0|2,0,0]=4 20 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,2,0,0,0,0|0,0,2]=4 21 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,2,0,0,0,0|1,0,1]=4 22 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,2,0,0,0,0|1,0,1]=4 23 B6R0.1 CN(C=O)CC#N a7a395c841bf1c778a7b432155652f5f [0,2,0,0,0,0|2,0,0]=4 24 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,2,0,0,0,0|2,0,0]=4 25 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,2,0,0,0,0|1,0,1]=4 26 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,2,0,0,0,0|0,0,2]=4 27 B6R0.1 C[C@H](C=O)NC#N 561b679827239db41a575e4f622826ae [0,2,0,0,0,0|1,0,1]=4 28 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,2,0,0,0,0|0,0,2]=4 29 B6R0.1 N#CNC(=O)C=O 1f5e87ac61370d0fee6235b020510a93 [0,2,0,0,0,0|0,0,1]=3 30 B6R0.1 N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [0,2,0,0,0,0|1,0,1]=4 31 B6R0.1 N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,2,0,0,0,0|1,0,1]=4 32 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [0,2,0,0,0,0|1,0,1]=4 33 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,2,0,0,0,0|1,0,1]=4 34 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,2,0,0,0,0|1,0,1]=4 35 B6R0.4 C=C(Br)CNC=O 2e020a236ab831176aea02028302e186 [0,2,0,0,0,0|1,0,1]=4 36 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,2,0,0,0,0|1,0,0]=3 37 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,2,0,0,0,0|0,0,0]=2 38 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,2,0,0,0,0|0,0,2]=4 40 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,2,0,0,0,0|0,0,2]=4 41 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,2,0,0,0,0|1,0,1]=4 42 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,2,0,0,0,0|1,0,1]=4 44 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,2,0,0,0,0|1,0,1]=4 45 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,2,0,0,0,0|0,0,2]=4 46 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,2,0,0,0,0|0,1,1]=4 47 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [0,2,0,0,0,0|0,0,2]=4 50 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,2,0,0,0,0|1,0,1]=4 52 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,2,0,0,0,0|0,0,2]=4 53 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [0,2,0,0,0,0|0,0,2]=4 54 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [0,2,0,0,0,0|0,0,2]=4 55 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,2,0,0,0,0|1,0,0]=3 56 B6R0.5 CC(C)(C)NC=O fd731f01e449e88bdf1e84dfcee6c8d2 [0,2,0,0,0,0|1,0,1]=4 57 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [0,1,0,1,0,0|1,0,1]=4 58 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,1,0,1,0,0|2,0,0]=4