0 B21R2.1129572 CCN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C afc7e648611b01cf2b5d0325132b18de [0,1,0,0,0,0|3,0,0]=4 1 B21R2.14189985 CC(C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C c8372c1ee89c6c1f755ad59ecbd64452 [0,0,0,0,0,1|2,0,1]=4 2 B20R2.2671397 CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 25c3c2db455e88321bd3b4fea8c68ebe [1,1,0,0,0,0|1,0,1]=4 3 B20R2.2671397 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNC#N 8350e42ee7d963f61205463cb26bb2d5 [1,1,0,0,0,0|1,0,1]=4 4 B20R2.2671397 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCF c09693381c1ad6516c98e41adf426454 [1,1,0,0,0,0|1,0,1]=4 5 B22R2.8355619 C=C(C=O)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 8423c455dcbb5eee35162316a1474540 [0,1,0,0,0,1|1,0,0]=3 6 B22R2.8355619 CC(C=O)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 953af86ac85089b1eeecbedf94e056ba [0,1,0,0,0,1|1,0,1]=4 7 B22R2.8355619 CC(CO)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 5340f778f80d6529e9266daf3aaf95f8 [0,1,0,0,0,1|1,0,1]=4 8 B22R2.8355619 C[C@@H](CO)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7443f47951c2999a9137f045678d27d8 [0,1,0,0,0,1|1,0,1]=4 9 B22R2.8355619 C[C@H](C=O)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 610e5326f02ae4c898128b42216ed67d [0,1,0,0,0,1|1,0,1]=4 10 B22R2.8355619 C[C@H](CO)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 691bf891492972f35069fa40eadc511f [0,1,0,0,0,1|1,0,1]=4 11 B22R2.37851616 CN(CCO)CCCn1c(=O)c2c(ncn2C)n(c1=O)C f53ffe33ebb0bbeda3e82ce55183198f [0,2,0,0,0,0|2,0,0]=4 12 B22R2.37851616 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)NC#N a0d92913f9a0ece07723bc87bf9b6b23 [0,2,0,0,0,0|1,0,0]=3 13 B20R1.170261 CN(C(=O)NCCCC(=O)O)c1ncnc(c1C=O)Cl 0358c81e8fc58a5c8a32702e055a3556 [0,0,1,0,0,1|2,0,0]=4 14 B22R2.23904716 C=C(Br)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C f6c8257a7152f8be469a31569523bf9a [0,0,0,0,0,2|2,0,0]=4 15 B22R2.23904716 C=C(Br)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C cfdb351bf8f41d51a3df21d0f1be0572 [0,0,0,0,0,2|2,0,0]=4 16 B22R2.23904716 C=C(C)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 6782867d60971385dfe870d81c8de430 [0,0,0,0,0,2|2,0,0]=4 17 B22R2.23904716 C=C(C)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 195256e5961a702bbc1940b80d7348f4 [0,0,0,0,0,2|2,0,0]=4 18 B22R2.23904716 C=C(Cl)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 170f603ca37012bfbe10d579640fb2b9 [0,0,0,0,0,2|2,0,0]=4 19 B22R2.23904716 C=C(F)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C bdef5f9ca12bce28dc7d55fc5f4569d7 [0,0,0,0,0,2|2,0,0]=4 20 B22R2.23904716 CC(=O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C c12322990ea142716c1150bc34d5917c [0,0,0,0,0,2|1,0,0]=3 21 B22R2.23904716 CC(=O)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C aaba2de6a40f76be8b32f1ad6aa88e2f [0,0,0,0,0,2|1,0,0]=3 22 B22R2.23904716 CC(O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 0837e9e59c12b0b948bd84cf7035d512 [0,0,0,0,0,2|1,0,1]=4 23 B22R2.23904716 C[C@@H](O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 1d1e1854a76acf508ce6659af63e6025 [0,0,0,0,0,2|1,0,1]=4 24 B22R2.23904716 C[C@H](O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a85143902545516c43e2a0016d5943d [0,0,0,0,0,2|1,0,1]=4 25 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC(=O)N eab59439e37ee1eb61adbdd1fe4590f8 [0,0,0,0,0,2|1,0,0]=3 26 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCC(=O)N 65497ad0c6cb93b2410283c09e64767a [0,0,0,0,0,2|1,0,0]=3 27 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCC(=O)O f7af8c65b36e2b7086cd138d1b99aefa [0,0,0,0,0,2|0,0,0]=2 28 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCS(=O)O dee1067fb2121de51fe625cf2ff901c5 [0,0,0,0,0,2|1,0,0]=3 29 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOC[N+](=O)[O-] c286161cd1b3e0099623210df7fadf90 [0,0,0,0,0,2|1,0,1]=4 30 B17R1.8249 CN(CCCC(=O)O)C(=O)Nc1cn(cn1)C 318fdf01da2590c81487ad055a6f6bfb [2,0,1,0,0,0|0,0,1]=4 31 B19R1.799869 Cc1nc(c(n1C)C=O)NC(=O)NCCCC(=O)N dc05e6c5c252bd0ff87f0b97569a63df [1,1,1,0,0,0|1,0,0]=4 32 B21R2.2598734 C=CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C e6309f39ced9b2625191b30d68e1767a [1,2,0,0,0,0|1,0,0]=4 33 B21R2.2598734 COCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 39ab022dd9f76b3714edd2a22f4f6614 [1,2,0,0,0,0|0,0,1]=4 34 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCCO f35964018eb02bc25513d717d1d829b2 [1,2,0,0,0,0|0,0,1]=4 35 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCC=O 1cfe004a382098fc1980be4f7dfccad8 [1,2,0,0,0,0|0,0,0]=3 36 B23R2.12044479 C=C(COCCCn1c(=O)c2c(ncn2C)n(c1=O)C)OC 5e6d9dd8abee051d9302343d10e8e026 [0,1,0,0,0,2|1,0,0]=4 37 B23R2.12044479 CCC(=O)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C cc35ca9edc940d363b117e2fd706dcbb [0,1,0,0,0,2|1,0,0]=4 38 B23R2.12044479 CNC(=O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7985cfa5fd0c4934cd6563b7cfa937d4 [0,1,0,0,0,2|1,0,0]=4 39 B23R2.12044479 CNC(=O)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C fc641b56446e388adab5420bce3f2ca7 [0,1,0,0,0,2|1,0,0]=4 40 B23R2.12044479 COC(=O)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 48f9b1542e16b107100a1450feeb6420 [0,1,0,0,0,2|0,0,0]=3 41 B23R2.12044479 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC(=O)NO 22935e5d8b96f73e0e8472e032d16a81 [0,1,0,0,0,2|0,0,0]=3 42 B23R2.39379670 CC(=O)C(C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 15af73bf60b4e0a55a355727c1637111 [0,1,0,0,0,2|1,0,0]=4 43 B23R2.39379670 CC(NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 4aaba543043474e8d3e313ecf1ae098a [0,1,0,0,0,2|1,0,0]=4 44 B23R2.39379670 CC(NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)O a4893e1a21e81c46246426945d6a1c63 [0,1,0,0,0,2|0,0,0]=3 45 B23R2.39379670 CC(OCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 9dc0895dd57c6a645a8534fe15d2a31c [0,1,0,0,0,2|1,0,0]=4 46 B23R2.39379670 C[C@@H](NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 429d42036a169c42c8243db2ed35afa3 [0,1,0,0,0,2|1,0,0]=4 47 B23R2.39379670 C[C@@H](NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)O a3ce373bb903610a8ede376b7a5b41d9 [0,1,0,0,0,2|0,0,0]=3 48 B23R2.39379670 C[C@@H](OCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 5326f034989178051825ecfc68cedd2c [0,1,0,0,0,2|1,0,0]=4 49 B23R2.39379670 C[C@H](NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 6a81d56199ccc24de75f480cebca2b09 [0,1,0,0,0,2|1,0,0]=4 50 B23R2.39379670 C[C@H](NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)O 27879d1a3050c8835953cd20d99d7055 [0,1,0,0,0,2|0,0,0]=3 51 B23R2.39379670 C[C@H](OCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 4b66cea60baf3754137479b14ddd1cab [0,1,0,0,0,2|1,0,0]=4 52 B23R2.39379670 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNC(O)C(=O)O 0b19c741633c0ff394cf39e714f9b78b [0,1,0,0,0,2|0,0,0]=3 53 B23R2.39379670 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOC(F)C(=O)N f33702168c365c4c27921401311fdec4 [0,1,0,0,0,2|1,0,0]=4 54 B23R2.39379681 CN(CCCn1c(=O)c2c(ncn2C)n(c1=O)C)CC(=O)N 3da3d3c9fa6f7b25f9e5dee50e18e168 [0,1,0,0,0,2|1,0,0]=4 55 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCS(=O)(=O)O 0e570ce308dfb56ab27b841e4118d63d [0,1,0,0,0,2|1,0,0]=4 56 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCS(=O)(=O)O 0ecf1ab521986052e69ff20d169f7ae4 [0,1,0,0,0,2|1,0,0]=4 57 B23R2.10404334 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCCC(=O)NC#N ec4ea247f680bcadb935d7875c686645 [0,2,0,0,0,1|1,0,0]=4 58 B23R2.33707927 C#CCNC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 6b582c1fe39e31e09cb75712297e4d41 [0,3,0,0,0,0|1,0,0]=4 59 B23R2.33707927 CCCNC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 9e5ea7395324581072e95b4657724222 [0,3,0,0,0,0|1,0,0]=4 60 B23R2.33707927 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)NCC#N ea1fd67b2ec19594657d9178363b238f [0,3,0,0,0,0|1,0,0]=4 61 B23R2.33707927 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)NCCBr 4c329de58cfc5445a957afaea5375022 [0,3,0,0,0,0|1,0,0]=4 62 B23R2.33707927 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)NCCF aa31c41032e4f58c11758b066fab43bb [0,3,0,0,0,0|1,0,0]=4 63 B23R2.33707927 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)NCCI 46ae20a721010f3aaa327a9701460b52 [0,3,0,0,0,0|1,0,0]=4 64 B23R2.33707927 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)NCCO 98d8dad1ec4e6672922f4c942b6ec73d [0,3,0,0,0,0|0,0,0]=3 65 B23R2.33707927 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)NCCS a7bd6cb2d8a80018e3e20c7c86dfac7e [0,3,0,0,0,0|0,1,0]=4 66 B17R1.53294 CN(CCCCC(=O)O)c1ncn(c1C=O)C 4daff04c435583a6619423bfbd08e8a3 [1,0,1,0,1,0|0,0,1]=4 67 B19R1.120677 Cn1cnc(c1C=O)NCC(=O)NCCCC(=O)O 0a94a169a2e4f3116a29183177ef7af1 [1,0,1,0,0,1|0,0,0]=3 68 B19R1.120677 Cn1nnc(c1C=O)NCC(=O)NCCCC(=O)O 7ee9f0d580eb78938b34d919660474f9 [1,0,1,0,0,1|1,0,0]=4 69 B23R2.39379684 CC(=O)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 5c32a8a0aacfd8bfec382f4e283599be [0,0,0,0,0,3|1,0,0]=4 70 B23R2.39379684 CC(=O)NCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C cfbf3cc8cebea356553c73fac88a039b [0,0,0,0,0,3|1,0,0]=4 71 B23R2.39379684 CC(=O)OCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C ab1ee9cee99089fe9eb1be2fc484ee46 [0,0,0,0,0,3|1,0,0]=4 72 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCCC(=O)N c7b4247b3d6dff48d2dfe11678ce0f53 [0,0,0,0,0,3|1,0,0]=4 73 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCCC(=O)N ade19a098be5ca1d3cb08df286ec2296 [0,0,0,0,0,3|1,0,0]=4 74 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCNC(=O)N 7acceb0192a2adb61c3cf7e8d6906095 [0,0,0,0,0,3|1,0,0]=4 75 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCSC(=O)N 06b73b3e64bef0e4fc72bae68066ec95 [0,0,0,0,0,3|1,0,0]=4