0 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [1,0,0,0,0,0|3,0,0]=4 1 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,0,1,0,0,0|2,0,1]=4 2 B8R0.8 CC(CNCF)C(=O)O 81c40ac360e7f6cce7aa3313199a6d5d [0,0,1,0,0,0|3,0,0]=4 3 B8R0.8 CC(CNCO)C(=O)O e22ad5b294faf2e87974a8321cb31821 [0,0,1,0,0,0|3,0,0]=4 4 B8R0.8 CC(COCF)C(=O)O 415e8d45727d24f32c3b9f930225f08d [0,0,1,0,0,0|3,0,0]=4 5 B8R0.8 CC(NCCF)C(=O)O 826059aa4ee48cb4b37668249087cac6 [0,0,1,0,0,0|3,0,0]=4 6 B8R0.8 CC(NCCI)C(=O)O dee732c464e42a2d1492bb4c77f9d546 [0,0,1,0,0,0|3,0,0]=4 7 B8R0.8 CC(NCCO)C(=O)O d02ed597872d2f4c546187db89f2f220 [0,0,1,0,0,0|3,0,0]=4 8 B8R0.8 CC(NCCS)C(=O)O c86172ae088a1a89a361e8a05cbb9a1a [0,0,1,0,0,0|3,0,0]=4 9 B8R0.8 CC(OCCF)C(=O)O 6fd5e9a19867c7867b238e7d51a1feb1 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.8 CC(OCCS)C(=O)O c6314cdd016da9ce267602a4c2560a24 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,0,1,0,0,0|3,0,0]=4 12 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,0,1,0,0,0|3,0,0]=4 13 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,0,1,0,0,0|3,0,0]=4 14 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,0,1,0,0,0|2,0,0]=3 15 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,0,1,0,0,0|2,0,0]=3 17 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,0,1,0,0,0|2,0,0]=3 19 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,0,1,0,0,0|3,0,0]=4 20 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,0,1,0,0,0|2,0,0]=3 21 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,0,1,0,0,0|3,0,0]=4 22 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,0,1,0,0,0|3,0,0]=4 23 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,0,1,0,0,0|2,0,0]=3 24 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,0,1,0,0,0|3,0,0]=4 25 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,0,1,0,0,0|3,0,0]=4 26 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,0,1,0,0,0|2,0,0]=3 27 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,0,1,0,0,0|2,0,0]=3 29 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,0,1,0,0,0|2,0,0]=3 30 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [0,0,1,0,0,0|2,0,0]=3 31 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [0,0,1,0,0,0|2,0,0]=3 32 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,0,1,0,0,0|2,0,0]=3 33 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [0,0,1,0,0,0|2,0,0]=3 34 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,0,1,0,0,0|2,0,0]=3 35 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [0,0,1,0,0,0|2,0,0]=3 36 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,0,1,0,0,0|3,0,0]=4 37 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,0,1,0,0,0|2,0,0]=3 38 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,0,1,0,0,0|2,0,0]=3 40 B8R0.8 COCNC(C)C(=O)O e8a36179375a090804a3295d43a4edc8 [0,0,1,0,0,0|3,0,0]=4 41 B8R0.8 COCNC(O)C(=O)O c63f3dcbd9e54c8057b6fa82b7adfdd8 [0,0,1,0,0,0|3,0,0]=4 42 B8R0.8 COCN[C@@H](C)C(=O)O 97f34448d198c44b13a9de86cde207b4 [0,0,1,0,0,0|3,0,0]=4 43 B8R0.8 COCN[C@H](C)C(=O)O aa63150e151b1d92e3b97d3faa08a6a0 [0,0,1,0,0,0|3,0,0]=4 44 B8R0.8 CSCNC(C)C(=O)O ea815da10516e5245f4fabfad2c1e236 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.8 CSCN[C@@H](C)C(=O)O 7e48161f385aeb967c83dfdd3dbc82ac [0,0,1,0,0,0|3,0,0]=4 47 B8R0.8 CSCN[C@H](C)C(=O)O b9423e8ae3b110bd616b166a6c8e3236 [0,0,1,0,0,0|3,0,0]=4 48 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,0,1,0,0,0|3,0,0]=4 49 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,0,1,0,0,0|3,0,0]=4 50 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,0,1,0,0,0|3,0,0]=4 51 B8R0.8 C[C@@H](CNCF)C(=O)O 4d9173719fc4f49e4611760c33799bb2 [0,0,1,0,0,0|3,0,0]=4 52 B8R0.8 C[C@@H](CNCO)C(=O)O 129419d76dc5f85eaf247a7f67fc6cef [0,0,1,0,0,0|3,0,0]=4 53 B8R0.8 C[C@@H](COCF)C(=O)O aa505f32f4e5eedb1609c9fa6ceb286b [0,0,1,0,0,0|3,0,0]=4 54 B8R0.8 C[C@@H](NCCF)C(=O)O c985c930a75dd7ef32b597383fbe6b60 [0,0,1,0,0,0|3,0,0]=4 55 B8R0.8 C[C@@H](NCCI)C(=O)O 8a10c2dc2b0ccfee702f35e3cbddbf0d [0,0,1,0,0,0|3,0,0]=4 56 B8R0.8 C[C@@H](NCCO)C(=O)O 773cefab23e4277c3fec27f25db9fd3e [0,0,1,0,0,0|3,0,0]=4 57 B8R0.8 C[C@@H](NCCS)C(=O)O 19d484937376b7d19ec4ad31c032ffd8 [0,0,1,0,0,0|3,0,0]=4 58 B8R0.8 C[C@@H](OCCF)C(=O)O c9253212131f04406411165ed9fada60 [0,0,1,0,0,0|3,0,0]=4 59 B8R0.8 C[C@@H](OCCS)C(=O)O ac3bfc55d41f7a030484bfd593511e60 [0,0,1,0,0,0|3,0,0]=4 60 B8R0.8 C[C@H](CNCF)C(=O)O 9d81b94206f75ee21b4db163708e8702 [0,0,1,0,0,0|3,0,0]=4 61 B8R0.8 C[C@H](CNCO)C(=O)O 722d39fe0a80aec373909ca981cc2ac2 [0,0,1,0,0,0|3,0,0]=4 62 B8R0.8 C[C@H](COCF)C(=O)O 45766ea01c28bb0aca00c5be08dc9be3 [0,0,1,0,0,0|3,0,0]=4 63 B8R0.8 C[C@H](NCCF)C(=O)O fd1f98b23619529732be37e8295a849a [0,0,1,0,0,0|3,0,0]=4 64 B8R0.8 C[C@H](NCCI)C(=O)O 14879b70406900d3b9c0aef15c8804ba [0,0,1,0,0,0|3,0,0]=4 65 B8R0.8 C[C@H](NCCO)C(=O)O 76808623850f5a1065c978caf5c977ca [0,0,1,0,0,0|3,0,0]=4 66 B8R0.8 C[C@H](NCCS)C(=O)O f9c7d821f3499388f2c0c427911263cd [0,0,1,0,0,0|3,0,0]=4 67 B8R0.8 C[C@H](OCCF)C(=O)O 743b16156cee7adc3f15423098970a5c [0,0,1,0,0,0|3,0,0]=4 68 B8R0.8 C[C@H](OCCS)C(=O)O b485ed5c5773edd40292f7e36c453e29 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.8 O=C(O)C(F)CNCF f1a9030b4e84b2808ed1cc96323a1748 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.8 O=C(O)C(F)CNCO c5cb63252e280c78105d540035d06dac [0,0,1,0,0,0|3,0,0]=4 71 B8R0.8 O=C(O)C(O)CNCF b50e1442b5c6266934863854576a8d3d [0,0,1,0,0,0|3,0,0]=4 72 B8R0.8 O=C(O)C(O)CNCO 898dc7e3ebc74408e9fbb99b51d98f75 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.8 O=C(O)C(O)NCCF f448ef4ffbf11843dbee1bb8436d2a0c [0,0,1,0,0,0|3,0,0]=4 74 B8R0.8 O=C(O)C(O)NCCO 698911e1d3457f5b9e37a340d950957a [0,0,1,0,0,0|3,0,0]=4 75 B8R0.8 O=C(O)C(O)NCCS 5346421c4abaa0529702e1282d1c5a95 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.8 O=C(O)[C@@H](O)CNCF dfc3ee5c735555d7aca49144f695826d [0,0,1,0,0,0|3,0,0]=4 77 B8R0.8 O=C(O)[C@@H](O)CNCO cdd1082cc3946b226b2ffbc1066fef89 [0,0,1,0,0,0|3,0,0]=4 78 B8R0.8 O=C(O)[C@H](O)CNCF 5dbad60ab052faf0f2f5f615bfe59344 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.8 O=C(O)[C@H](O)CNCO 71211b0d7c7b20837b97e49988848369 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.12 CC(C)(NCF)C(=O)O f9e92278861b7cfa6593cc57e317672c [0,0,1,0,0,0|3,0,0]=4 81 B8R0.12 CC(C)(NCO)C(=O)O b9fb05c46397d03ef9aa863b94853bfb [0,0,1,0,0,0|3,0,0]=4 82 B8R0.12 CCNC(C)(C)C(=O)C cc6332268668580c950a0bb19a912075 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.12 CCNC(C)(C)C(=O)N c9d91f1d91cd057da4582a1b54997e63 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.12 CCNC(C)(C)C(=O)O 6a4bebf8bb98ff706835230f86b4cd13 [0,0,1,0,0,0|2,0,0]=3 85 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [1,0,1,0,0,0|2,0,0]=4 86 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [1,0,1,0,0,0|2,0,0]=4 87 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [1,0,1,0,0,0|2,0,0]=4 88 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,0,1,0,0,0|2,0,0]=4 89 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,0,1,0,0,0|2,0,0]=4 90 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,0,1,0,0,0|2,0,0]=4 91 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,0,1,0,0,0|2,0,0]=4 92 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,0,1,0,0,0|2,0,0]=4 93 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,0,1,0,0,0|1,0,0]=3 94 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,0,1,0,0,0|2,0,0]=4 95 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,0,1,0,0,0|2,0,0]=4 96 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,0,1,0,0,0|1,0,0]=3 97 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [1,0,1,0,0,0|2,0,0]=4 98 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [1,0,1,0,0,0|2,0,0]=4 99 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,0,1,0,0,0|1,0,0]=3 100 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,0,1,0,0,0|2,0,0]=4 101 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,0,1,0,0,0|2,0,0]=4 102 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [1,0,1,0,0,0|2,0,0]=4 103 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,0,1,0,0,0|1,0,0]=3 104 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,0,1,0,0,0|2,0,0]=4 105 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,0,1,0,0,0|2,0,0]=4 106 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,0,1,0,0,0|2,0,0]=4 107 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,0,1,0,0,0|2,0,0]=4 108 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [1,0,1,0,0,0|2,0,0]=4 109 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [1,0,1,0,0,0|2,0,0]=4 110 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [1,0,1,0,0,0|2,0,0]=4 111 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,0,1,0,0,0|2,0,0]=4 112 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,0,1,0,0,0|2,0,0]=4 113 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,0,1,0,0,0|2,0,0]=4 114 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [1,0,1,0,0,0|2,0,0]=4 115 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,0,1,0,0,0|2,0,0]=4 116 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,0,1,0,0,0|2,0,0]=4 117 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,0,1,0,0,0|2,0,0]=4 118 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [1,0,1,0,0,0|2,0,0]=4 119 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [1,0,1,0,0,0|2,0,0]=4 120 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [1,0,1,0,0,0|2,0,0]=4 121 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [1,0,1,0,0,0|2,0,0]=4 122 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [1,0,1,0,0,0|2,0,0]=4 123 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [1,0,1,0,0,0|1,0,0]=3 124 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [1,0,1,0,0,0|2,0,0]=4 125 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [1,0,1,0,0,0|2,0,0]=4 126 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [1,0,1,0,0,0|1,0,0]=3 127 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [1,0,1,0,0,0|2,0,0]=4 128 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [1,0,1,0,0,0|1,0,0]=3 129 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [1,0,1,0,0,0|2,0,0]=4 130 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [1,0,1,0,0,0|2,0,0]=4 131 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [1,0,1,0,0,0|1,0,0]=3 132 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [1,0,1,0,0,0|2,0,0]=4 133 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [1,0,1,0,0,0|1,0,0]=3 134 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [1,0,1,0,0,0|1,0,0]=3 136 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [1,0,1,0,0,0|2,0,0]=4 139 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [1,0,1,0,0,0|2,0,0]=4 140 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [1,0,1,0,0,0|2,0,0]=4 141 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [1,0,1,0,0,0|2,0,0]=4 142 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [2,0,0,0,0,0|2,0,0]=4 143 B9R0.6 CCCN(C)C(C)C(=O)O f70fec3653f8caa91c122702576f4a6d [0,1,1,0,0,0|2,0,0]=4 144 B9R0.6 CCCN(C)[C@@H](C)C(=O)O 33f2c0d3908618aac995bd4430161391 [0,1,1,0,0,0|2,0,0]=4 145 B9R0.6 CCCN(C)[C@H](C)C(=O)O 5c8b184c0ab62c90ff99df884739207b [0,1,1,0,0,0|2,0,0]=4 146 B9R0.6 CCOC(C)C(C)C(=O)O 0340fa6b71e090f1b398080bd25b7143 [0,1,1,0,0,0|2,0,0]=4 147 B9R0.7 CC(C)CNC(C)C(=O)O 95f3f70da5c52d8fcff64d575b644cc6 [0,1,1,0,0,0|2,0,0]=4 148 B9R0.7 CC(C)CNC(F)C(=O)O 3711a9670c069b61c1c67d7849298242 [0,1,1,0,0,0|2,0,0]=4 149 B9R0.7 CC(C)CNC(O)C(=O)O 56c2775cf664a9536ae56c2e0f8fb5b9 [0,1,1,0,0,0|2,0,0]=4 150 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 8a76b9132fa71c37af073ea71f14d908 [0,1,1,0,0,0|2,0,0]=4 151 B9R0.7 CC(C)CN[C@@H](F)C(=O)O ce55718c38f59931fe6cf543c7b3ebcf [0,1,1,0,0,0|2,0,0]=4 152 B9R0.7 CC(C)CN[C@H](C)C(=O)O 3f45bea020626ccc8ec99438f12126a4 [0,1,1,0,0,0|2,0,0]=4 153 B9R0.7 CC(C)COC(C)C(=O)O 9c7c1c3df2d77d8f248ac9d91af8f53d [0,1,1,0,0,0|2,0,0]=4 154 B9R0.7 CC(C)CO[C@@H](C)C(=O)O fd5777f1e2b1dc60074ed75e7679298b [0,1,1,0,0,0|2,0,0]=4 155 B9R0.7 CC(C)CO[C@H](C)C(=O)O a69c599a7201e956cef10d92e6f06c1a [0,1,1,0,0,0|2,0,0]=4 156 B9R0.7 CC(C)NCC(C)C(=O)O 48514b1b15d268c29686084b8a8d2d09 [0,1,1,0,0,0|2,0,0]=4 157 B9R0.7 CC(C)NCC(F)C(=O)O 861691fa5d69b6285a7fb70768f89e36 [0,1,1,0,0,0|2,0,0]=4 158 B9R0.7 CC(C)NCC(O)C(=O)O 3c07f41ba869fad28628ce0e0eb9eb4d [0,1,1,0,0,0|2,0,0]=4 159 B9R0.7 CC(C)NC[C@@H](C)C(=O)O eeb01880b97f7b36610e05c2883a075b [0,1,1,0,0,0|2,0,0]=4 160 B9R0.7 CC(C)NC[C@@H](O)C(=O)O eb6cf8a2e9cb3af443f150092edec970 [0,1,1,0,0,0|2,0,0]=4 161 B9R0.7 CC(C)NC[C@H](C)C(=O)O 5780cd753c39f96a6d86de7929d8156a [0,1,1,0,0,0|2,0,0]=4 162 B9R0.7 CC(C)NC[C@H](O)C(=O)O 84ab021a3398610ee2c835c2429ab0e4 [0,1,1,0,0,0|2,0,0]=4 163 B9R0.7 CC(C)OCC(C)C(=O)O c21654bda41cff34c31217652ae24bef [0,1,1,0,0,0|2,0,0]=4 164 B9R0.7 CC(C)OC[C@@H](C)C(=O)O 2e5187b7924c997fdbb6d21d5f5bf05b [0,1,1,0,0,0|2,0,0]=4 165 B9R0.7 CC(C)OC[C@H](C)C(=O)O ea6a1b5296e92549506a331182057b42 [0,1,1,0,0,0|2,0,0]=4 166 B9R0.7 CC(NC[C@@H](C)O)C(=O)O e809ce2c26bcb016686927f7b1c7a395 [0,1,1,0,0,0|2,0,0]=4 167 B9R0.7 CC(NC[C@H](C)O)C(=O)O d508d1661713f75e41ed860ce7457545 [0,1,1,0,0,0|2,0,0]=4 168 B9R0.7 CC(O)CNC(C)C(=O)O 8f378c3b2577a664e81978bed6d085ad [0,1,1,0,0,0|2,0,0]=4 169 B9R0.7 CC(O)CNC(O)C(=O)O 5e6094d83c3524909868e222ec813376 [0,1,1,0,0,0|2,0,0]=4 170 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 5ddc35dc14ba5aa589c4aa25f6e3299a [0,1,1,0,0,0|2,0,0]=4 171 B9R0.7 CC(O)CN[C@H](C)C(=O)O 4d91ad475557f6f0126eddf20ec91d26 [0,1,1,0,0,0|2,0,0]=4 172 B9R0.7 C[C@@H](O)CNC(O)C(=O)O 53522750083f40c42a75c8d1a51d10e1 [0,1,1,0,0,0|2,0,0]=4 173 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)O 6c09363025908b429c9f6a9c87360a44 [0,1,1,0,0,0|2,0,0]=4 174 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O e4a79b78aaf76db8d949999ecfcb00bc [0,1,1,0,0,0|2,0,0]=4 175 B9R0.7 C[C@H](O)CNC(O)C(=O)O 2718c7b8bbc967e12d5b2f298426a47e [0,1,1,0,0,0|2,0,0]=4 176 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)O 6a6c67ca6662759fc2db97e0c2faf3d9 [0,1,1,0,0,0|2,0,0]=4 177 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)O 43b98191e964d18ae40cd9f3d82f80ac [0,1,1,0,0,0|2,0,0]=4 178 B9R0.8 CCCCN(C)C(=O)CO 4ba88839945a674ab9ac3fbe8c51fb1c [0,1,1,0,0,0|2,0,0]=4 179 B9R0.8 CCCNC(C)C(=O)OC 31247040e57fcd82f8a5006ea35f44b3 [0,1,1,0,0,0|2,0,0]=4 180 B9R0.8 CCCN[C@@H](C)C(=O)OC 59d491ac2868b6f8a0c3d1e8728d0ebe [0,1,1,0,0,0|2,0,0]=4 181 B9R0.8 CCCN[C@H](C)C(=O)OC 341714f23671a6f279f2ba9d2fc394e9 [0,1,1,0,0,0|2,0,0]=4 182 B9R0.8 CCCOC(C)C(=O)OC 6aeb6cf87a11cad68a57c617fd4dd6b3 [0,1,1,0,0,0|2,0,0]=4 183 B9R0.8 CCCO[C@@H](C)C(=O)OC 74882931e69b82142f87fd9cd5771d40 [0,1,1,0,0,0|2,0,0]=4 184 B9R0.8 CCCO[C@H](C)C(=O)OC df7cac25b325230b3fd4729465a84aae [0,1,1,0,0,0|2,0,0]=4 185 B9R0.8 CCNCC(C)C(=O)OC 23788628878427ebf06f8ab1848fc209 [0,1,1,0,0,0|2,0,0]=4 186 B9R0.8 CCOCC(C)C(=O)OC 80236c9332b15389a08a7441e9591cd6 [0,1,1,0,0,0|2,0,0]=4 187 B9R0.8 CCOCC(F)C(=O)OC 293289f16cf9b946a849bc2001cde08d [0,1,1,0,0,0|2,0,0]=4 188 B9R0.8 CCOC[C@@H](C)C(=O)OC 906e0220267f0d94eef2fb7d2be7e97d [0,1,1,0,0,0|2,0,0]=4 189 B9R0.8 CCOC[C@H](C)C(=O)OC d76376f8be763bf61f075f3cd3189478 [0,1,1,0,0,0|2,0,0]=4 190 B9R0.13 C#CC(OCCC)C(=O)O dd15e5c0f35b2a3183ad7ea7f1abbd0f [0,1,1,0,0,0|2,0,0]=4 191 B9R0.13 C=CC(NCCC)C(=O)O a2cd77405add7f9bda10928ee4ee78ab [0,1,1,0,0,0|2,0,0]=4 192 B9R0.13 C=C[C@H](NCCC)C(=O)O 9277832a0fa493055dd9f58c3067ce63 [0,1,1,0,0,0|2,0,0]=4 193 B9R0.13 CCCNC(CC)C(=O)O f069c353f507c75e209c8348074371d9 [0,1,1,0,0,0|2,0,0]=4 194 B9R0.13 CCCNC(CCl)C(=O)O 83d744b2a78bac7ef1fc1246b7f75153 [0,1,1,0,0,0|2,0,0]=4 195 B9R0.13 CCCNC(CF)C(=O)O 2674f23278ea23c1a3fd9e79cc64f417 [0,1,1,0,0,0|2,0,0]=4 196 B9R0.13 CCCNC(CO)C(=O)O f78fc4da322d7ff361a6dd4f22023970 [0,1,1,0,0,0|2,0,0]=4 197 B9R0.13 CCCNC(CS)C(=O)O 7ab935d1954160e0fa48d269e73468b7 [0,1,1,0,0,0|2,0,0]=4 198 B9R0.13 CCCN[C@@H](CC)C(=O)O 4af529648ddb980425c401ff5a4b13f1 [0,1,1,0,0,0|2,0,0]=4 199 B9R0.13 CCCN[C@@H](CCl)C(=O)O dab0665f81f97191818ff25180caa069 [0,1,1,0,0,0|2,0,0]=4 200 B9R0.13 CCCN[C@@H](CO)C(=O)O ddf3b03c8510fbc5ca4e2daff87a28f4 [0,1,1,0,0,0|2,0,0]=4 201 B9R0.13 CCCN[C@@H](CS)C(=O)O e3a74b3aff5bc12b4b6807001695fe2d [0,1,1,0,0,0|2,0,0]=4 202 B9R0.13 CCCN[C@H](CC)C(=O)O 61d39a4878aa39f0678d7acfbc68cb8c [0,1,1,0,0,0|2,0,0]=4 203 B9R0.13 CCCN[C@H](CCl)C(=O)O 4dc35c1012b0d0bb7903731dd1c16a51 [0,1,1,0,0,0|2,0,0]=4 204 B9R0.13 CCCN[C@H](CO)C(=O)O 8cf55344ec2a8ea73259764a0785501b [0,1,1,0,0,0|2,0,0]=4 205 B9R0.13 CCCN[C@H](CS)C(=O)O a0487dcbe4739001e1f7043af5abb830 [0,1,1,0,0,0|2,0,0]=4 206 B9R0.13 CCCOC(CC)C(=O)O 3313398866cda9d19c5a77c88cc36eb1 [0,1,1,0,0,0|2,0,0]=4 207 B9R0.13 CCCO[C@@H](CC)C(=O)O cc9a140b3b6be041090ec10f8ce0cd25 [0,1,1,0,0,0|2,0,0]=4 208 B9R0.13 CCCO[C@H](CC)C(=O)O 8d217e6f2224fafe55f85fa98a7934d5 [0,1,1,0,0,0|2,0,0]=4 209 B9R0.13 CCCO[C@H](CF)C(=O)O 29086d9c9cd694f8fc4088578e463f2a [0,1,1,0,0,0|2,0,0]=4 210 B9R0.13 CCNCC(C#N)C(=O)O ed3bc2e351117cd0351a1e7f1428a95d [0,1,1,0,0,0|1,0,1]=4 211 B9R0.13 CCNC[C@H](CC)C(=O)O cffe2fea12875251a32367199af5f540 [0,1,1,0,0,0|2,0,0]=4 212 B9R0.13 CCNC[C@H](CO)C(=O)O a286bd4559b6a8b5982e2ab8701c93f1 [0,1,1,0,0,0|2,0,0]=4 213 B9R0.42 CCC(C)NC(C)C(=O)O 68a75686848679943d96baf18ea4cee6 [0,1,1,0,0,0|2,0,0]=4 214 B9R0.42 CCC(C)NC(O)C(=O)O 9226770c00565a8ac46c992bcd3694a8 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fdc02bbb43502f5c97aa6cc131ca3e7b [0,1,1,0,0,0|2,0,0]=4 319 B9R0.47 CSCOC[C@@H](C)C(=O)O f78b2b8375299d81220e5cc7d9e3dbfe [0,1,1,0,0,0|2,0,0]=4 320 B9R0.47 CSCOC[C@H](C)C(=O)O bcff4cb87e281e7aed01590d3e181462 [0,1,1,0,0,0|2,0,0]=4 321 B9R0.47 C[C@@H](CNCCF)C(=O)O 757260ffee4b9173cbce3c789f17745b [0,1,1,0,0,0|2,0,0]=4 322 B9R0.47 C[C@@H](CNCCO)C(=O)O aef019050d33774a670561fe56b1e9c9 [0,1,1,0,0,0|2,0,0]=4 323 B9R0.47 C[C@@H](CNCCS)C(=O)O 45b16f8a63ff0b189fbdfd15250207c3 [0,1,1,0,0,0|2,0,0]=4 324 B9R0.47 C[C@@H](COCCF)C(=O)O 669c921fce0e06bd678115eebc8c85f7 [0,1,1,0,0,0|2,0,0]=4 325 B9R0.47 C[C@@H](COCCS)C(=O)O dae5bc031e98558fade7cf9c9693a59f [0,1,1,0,0,0|2,0,0]=4 326 B9R0.47 C[C@@H](NCCCCl)C(=O)O a6a0f8f4d4b6f3207dad245c45161e73 [0,1,1,0,0,0|2,0,0]=4 327 B9R0.47 C[C@@H](NCCCF)C(=O)O b39375a1f674e88f2c3f5aa0ee7dc2a6 [0,1,1,0,0,0|2,0,0]=4 328 B9R0.47 C[C@@H](NCCCO)C(=O)O c8d943c08754c016f5adf50e8e84f40c [0,1,1,0,0,0|2,0,0]=4 329 B9R0.47 C[C@@H](NCCCS)C(=O)O d084c98d8f8ea928c73e28584055ca5c [0,1,1,0,0,0|2,0,0]=4 330 B9R0.47 C[C@@H](OCCCF)C(=O)O a8c18e800a5a23d1f1971078ddf7ebda [0,1,1,0,0,0|2,0,0]=4 331 B9R0.47 C[C@H](CNCCF)C(=O)O 4340086171eb5cd6535ef3a219dc3758 [0,1,1,0,0,0|2,0,0]=4 332 B9R0.47 C[C@H](CNCCO)C(=O)O 31b14c6f1bcc278cf7469081e7aa9229 [0,1,1,0,0,0|2,0,0]=4 333 B9R0.47 C[C@H](CNCCS)C(=O)O 63087b39c7edb2644f0780996f2b6fd1 [0,1,1,0,0,0|2,0,0]=4 334 B9R0.47 C[C@H](COCCF)C(=O)O 01b65224eebbd4f1edd7aef24e90fab9 [0,1,1,0,0,0|2,0,0]=4 335 B9R0.47 C[C@H](COCCS)C(=O)O 11c95f2941d4973124e2e18e075d4c11 [0,1,1,0,0,0|2,0,0]=4 336 B9R0.47 C[C@H](NCCCCl)C(=O)O 87153e4a57ba8429a20364e258186ae9 [0,1,1,0,0,0|2,0,0]=4 337 B9R0.47 C[C@H](NCCCF)C(=O)O 455f51c1bc6306b88a3c27de650423be [0,1,1,0,0,0|2,0,0]=4 338 B9R0.47 C[C@H](NCCCO)C(=O)O dbe202cded99362dfc45aa71c39b7eb5 [0,1,1,0,0,0|2,0,0]=4 339 B9R0.47 C[C@H](NCCCS)C(=O)O bd56693ec2b9ed459b50dfc13b1f4492 [0,1,1,0,0,0|2,0,0]=4 340 B9R0.47 C[C@H](OCCCF)C(=O)O 025d1de81ef19c2829e9c715489ed779 [0,1,1,0,0,0|2,0,0]=4 341 B9R0.47 O=C(O)C(F)CCNCF 2abb8d1fe88b0111fdbfb97f08985175 [0,1,1,0,0,0|2,0,0]=4 342 B9R0.47 O=C(O)C(F)CCNCO 1c16d4233a720ae5a11c0b544d4e8538 [0,1,1,0,0,0|2,0,0]=4 343 B9R0.47 O=C(O)C(F)CNCCF bc27c59f49d09f14551c721c4213d464 [0,1,1,0,0,0|2,0,0]=4 344 B9R0.47 O=C(O)C(F)CNCCO 597c59dba8debc3a750f38fb05b95366 [0,1,1,0,0,0|2,0,0]=4 345 B9R0.47 O=C(O)C(F)CNCCS 256baf77c4e810fe87f77ab9eb17e3a1 [0,1,1,0,0,0|2,0,0]=4 346 B9R0.47 O=C(O)C(O)CCNCF 978e7a242bdd10f5361f85f00f74a696 [0,1,1,0,0,0|2,0,0]=4 347 B9R0.47 O=C(O)C(O)CCNCO 2ba2720a3da106e551885ac55efe3c3c [0,1,1,0,0,0|2,0,0]=4 348 B9R0.47 O=C(O)C(O)CNCCF 892296d858aed3a8b2bdced17cb03706 [0,1,1,0,0,0|2,0,0]=4 349 B9R0.47 O=C(O)C(O)CNCCI 551ce46f1a6c4059d0ddf6cb67a2a002 [0,1,1,0,0,0|2,0,0]=4 350 B9R0.47 O=C(O)C(O)CNCCO d2bf09f48377f15f821580767e3429b2 [0,1,1,0,0,0|2,0,0]=4 351 B9R0.47 O=C(O)C(O)CNCCS 7a001e29e68c999b97b9febbdf61354a [0,1,1,0,0,0|2,0,0]=4 352 B9R0.47 O=C(O)C(O)NCCCF d198fc87f8a140da8525b1f899a1d113 [0,1,1,0,0,0|2,0,0]=4 353 B9R0.47 O=C(O)C(O)NCCCO 1964c40dd265d0751cbf6e9db2c18a82 [0,1,1,0,0,0|2,0,0]=4 354 B9R0.47 O=C(O)C(O)NCCCS 280cf89800f0c0fb2f6939e643e90d8e [0,1,1,0,0,0|2,0,0]=4 355 B9R0.47 O=C(O)[C@@H](O)CCNCF 752ab70d2be40a9c9af5bd04c1064498 [0,1,1,0,0,0|2,0,0]=4 356 B9R0.47 O=C(O)[C@@H](O)CCNCO 6291bbc1a4f2e1ea1f5c3bc5f4667f5f [0,1,1,0,0,0|2,0,0]=4 357 B9R0.47 O=C(O)[C@@H](O)CNCCF 1f722cb60445ae222b0c65467451da98 [0,1,1,0,0,0|2,0,0]=4 358 B9R0.47 O=C(O)[C@@H](O)CNCCI 10f6f5e94768506bcf731ced65012583 [0,1,1,0,0,0|2,0,0]=4 359 B9R0.47 O=C(O)[C@@H](O)CNCCO cb0c725a39540e509a82a31572e081bf [0,1,1,0,0,0|2,0,0]=4 360 B9R0.47 O=C(O)[C@@H](O)CNCCS 3c37a51c4462b5737c9d42367d0b82fa [0,1,1,0,0,0|2,0,0]=4 361 B9R0.47 O=C(O)[C@H](O)CNCCF ffdf19b8b8a4a72db66db50281457bde [0,1,1,0,0,0|2,0,0]=4 362 B9R0.47 O=C(O)[C@H](O)CNCCO ffc079c1bb43161077e31f96585637b4 [0,1,1,0,0,0|2,0,0]=4 363 B9R0.47 O=C(O)[C@H](O)CNCCS aac0d2989cac0e7da0faa02ccf107405 [0,1,1,0,0,0|2,0,0]=4 364 B9R0.51 CCCNC(C)(C)C(=O)O 5af6ccb529bc268255165812ab7324f1 [0,1,1,0,0,0|2,0,0]=4 365 B9R0.51 CCNCC(C)(C)C(=O)O ec9fd4af8b3d116e68bab4c15c62de3c [0,1,1,0,0,0|2,0,0]=4 366 B9R0.51 CCNCC(F)(F)C(=O)O 64da67e8dea468f2a939a1316cacc786 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.51 CCOCC(C)(C)C(=O)O 582231cebb5c80114745be067d5573aa [0,1,1,0,0,0|2,0,0]=4 368 B9R0.11 CC(C)NC(C)(C)C(=O)O b6f14c368a38dd46f79213d90692b45e [0,1,1,0,0,0|2,0,0]=4 369 B9R0.28 CCN(C)C(C)(C)C(=O)O 1e7680116e5aae1a3c72454887e9adcf [0,1,1,0,0,0|2,0,0]=4 370 B9R0.60 CCNC(C)(C)C(=O)OC de68fe61a044feebd40569c7fa579e60 [0,1,1,0,0,0|2,0,0]=4 371 B9R0.74 CCNC(C)(CC)C(=O)O 013cc22d2ebe5789c221161e26ffea21 [0,1,1,0,0,0|2,0,0]=4 372 B9R0.74 CCNC(C)(CO)C(=O)O 57d3e8a51368d3c37a9a4181d7227aca [0,1,1,0,0,0|2,0,0]=4 373 B9R0.74 CCN[C@@](C)(CC)C(=O)O 54806aa5c573469b3be93da1d1e62906 [0,1,1,0,0,0|2,0,0]=4 374 B9R0.74 CCN[C@@](C)(CO)C(=O)O f304448499e07cb9686ec77cd61b9831 [0,1,1,0,0,0|2,0,0]=4 375 B9R0.74 CCN[C@](C)(CC)C(=O)O 7ce9c5bba28329e17839c5c18647d1b9 [0,1,1,0,0,0|2,0,0]=4 376 B9R0.74 CCN[C@](C)(CO)C(=O)O ab31d13e415bb78138afc20d034b3169 [0,1,1,0,0,0|2,0,0]=4 377 B9R1.11 CN(CO)C1CCCC1 0b5d16fc59af1f86a07861d7fe6de384 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.11 O=C(CO)N1CCSC1 42095cf2ba0d7bb360a067bfcbd5ee52 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.35 CC(=O)N1CCC(C1)C 62fae45163ab5fc8df8ad46633eee0ac [1,1,0,0,0,0|2,0,0]=4 380 B9R1.35 CC(=O)N1CCC(C1)F a6d7f64dfc4ae3923d1e882541a80fe0 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.35 CC(=O)N1CCC(C1)O d6f7e3e992ee3d9bc88f42beae2651f4 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1016d6a16006ef8ebfa1a324326808d5 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.35 CC(=O)N1CC[C@@H](C1)O eba103538f34c1984ba106a2ce04ce40 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.35 CC(=O)N1CC[C@H](C1)F 286010f93b872d924c1e32cdd70d17f3 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.35 CC(=O)N1CC[C@H](C1)O a7a4738d457ef17a95fd7f51dd477d8d [1,1,0,0,0,0|2,0,0]=4 386 B9R1.41 CC(=O)N1CCCC1C f3ed72e102a18b3ca7365fff10aeb6f8 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.41 CC(=O)N1CCCC1O b5790fb44bfcbecb21ad5fbf05ca9a35 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.41 CC(=O)N1CCC[C@@H]1C 45c9778b44581f9933633398df3c02d2 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.41 CC(=O)N1CCC[C@H]1C 77e41bde24aa3c51a340cfebe6f455b1 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.134 CC1(CCCC1)NC=O 9f346bb798ddf4840d6f5ddf15261dc2 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.134 CC1(CCCC1)NCO ff39442060a58eb613376b43d3f85b34 [1,1,0,0,0,0|1,0,1]=4 392 B9R1.134 CC1(CCOC1)NC=O ad65daccf261b60746a7096eb8cd15d3 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.895 C#CC(=O)NC1(CCCC1)C c9cb41c0461b5d4f574e0629e8662d4e [0,1,0,0,0,1|2,0,0]=4 394 B11R1.895 C=CC(=O)NC1(CCCC1)C 6242ae27c36af6236ebecef91aa491b4 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.895 CC1(CCCC1)NC(=O)C=O 407d1dc36d077debda6da3d815f4ac4d [0,1,0,0,0,1|1,0,1]=4 396 B11R1.895 CC1(CCCC1)NC(=O)CF d34d0b93726c748bba38193169866aa6 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.895 CC1(CCOC1)NC(=O)CO a2f26b7ba3c7cdaed8a3a2d5467ce0c4 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.895 CCC(=O)NC1(CCCC1)C 53578151ae545be8b336e470b91dd9af [0,1,0,0,0,1|2,0,0]=4 399 B11R1.421 CC1(CCCN1CF)C(=O)O ae63ac4d34589c4dc9106f235cb9a346 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.421 CC1(CCCN1CO)C(=O)O 385a7db6fd8dbf2487149bdb9e5f944c [0,2,0,0,0,0|2,0,0]=4 401 B11R1.421 CCN1CCCC1(C)C(=O)O 4322ebc4e2588bece5fee6b8fcf0245c [0,2,0,0,0,0|2,0,0]=4 402 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 41aa10bfb2e5973c365a924fa121a4db [0,2,0,0,0,0|2,0,0]=4 403 B11R1.421 CCN1CCC[C@]1(C)C(=O)O b342af4b52817276153fc9dc54709be7 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.421 C[C@@]1(CCCN1CF)C(=O)O d45da79b73808048cf02341577df054a [0,2,0,0,0,0|2,0,0]=4 405 B11R1.421 C[C@@]1(CCCN1CO)C(=O)O bbdb9847a475bbd1dd20c0e0dca54620 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.421 C[C@]1(CCCN1CF)C(=O)O 9ebe550e988d1d5e96db7a7479d13ef8 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.421 C[C@]1(CCCN1CO)C(=O)O debd9ec1abf19e8ab5d79c86a041d17b [0,2,0,0,0,0|2,0,0]=4 408 B11R1.1229 CC1(CCN(C1)CF)C(=O)O 4edab041e875c13535a6e0aaeb73cdd6 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.1229 CC1(CCN(C1)CO)C(=O)O c4fb1084aeb8d9cfd5be156c63792c02 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.1229 CCN1CCC(C1)(C)C(=O)O 13e74f6e83f2ff47ad47371a927e77c4 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.1229 CCN1CCC(C1)(F)C(=O)O b7cd83fc2ec9c4a2336dd1ff9f678759 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.1229 CCN1CCC(C1)(O)C(=O)O 4c8da11e2e11bedc117e32c330f76d5b [0,2,0,0,0,0|2,0,0]=4 413 B11R1.1229 CCN1CC[C@@](C1)(C)C(=O)O 4a4d95e2f47c53b85ac70dd7ca2895c5 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.1229 CCN1CC[C@](C1)(C)C(=O)O ad28d5fa0ed139094a2925945826c8f2 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.1229 C[C@@]1(CCN(C1)CF)C(=O)O 9bd0cec024b5957aebbda7097e29c89f [0,2,0,0,0,0|2,0,0]=4 416 B11R1.1229 C[C@@]1(CCN(C1)CO)C(=O)O d9fcdde4554b1a6cb22839a5a0fd5287 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.1229 C[C@]1(CCN(C1)CF)C(=O)O 0a26f9ac4e815e0aa6d0a42ffebaee46 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.1229 C[C@]1(CCN(C1)CO)C(=O)O bf834f569d3b930564fd1beb289937e8 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.1229 O=C(O)C1(CCN(C1)CF)F 4feec888e3adda7e13c28e7cf43b35e9 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.1229 O=C(O)C1(CCN(C1)CF)O edc2484dc65907b9ee54ee814b99f200 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.1229 O=C(O)C1(CCN(C1)CO)F 5394d9f59357cfb5869f1d2278379696 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.1229 O=C(O)C1(CCN(C1)CO)O b4af36cbde804c809ad6bf3fe075c75b [0,2,0,0,0,0|2,0,0]=4 423 B11R1.1239 CCNC1(CCCC1)C(=O)N d7ddd095c3a6638226aa5953506d353a [0,2,0,0,0,0|1,0,0]=3 424 B11R1.1239 CCNC1(CCCC1)C(=O)O 7853b17a8186cd50faeab1383bcf7d07 [0,2,0,0,0,0|0,0,0]=2 425 B11R1.1239 CCNC1(CCOC1)C(=O)O 15e917df167a5b514aef712f85f6f31a [0,2,0,0,0,0|1,0,0]=3 426 B11R1.1239 CCNC1(CCSC1)C(=O)O 41a0ee4812c3cf923c770ec585322e39 [0,2,0,0,0,0|1,0,0]=3 427 B11R1.1239 CCN[C@@]1(CCOC1)C(=O)O 3afd944786837190fa4818d7cfd40e28 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.1239 CCN[C@]1(CCOC1)C(=O)O fa233e9054306f17937a9fec2ae59f62 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.1239 NC(=O)C1(CCCC1)NC=O c8881ed799ff3b476ca05a8600e2e47f [0,2,0,0,0,0|1,0,0]=3 430 B11R1.1239 NC(=O)C1(CCCC1)NCF d1c208f14c98179d7145cdf867f0d3f6 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.1239 NC(=O)C1(CCCC1)NCO 375f6a7c01019b93afb09f7fdad911e7 [0,2,0,0,0,0|1,0,0]=3 432 B11R1.1239 O=C(O)C1(CCCC1)NCF 917e168d4e0a25afa0177abb3493dd11 [0,2,0,0,0,0|0,0,0]=2 433 B11R1.1239 O=C(O)C1(CCCC1)NCO deedbcd954a841c64dbef35500be40fb [0,2,0,0,0,0|0,0,0]=2 434 B11R1.1239 O=C(O)C1(CCOC1)NCF 9422463fface6225466f6731553c7a39 [0,2,0,0,0,0|1,0,0]=3 435 B11R1.1239 O=C(O)C1(CCOC1)NCO 711a757dd48d65a40b17a9b788ee3ef3 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.1239 O=C(O)C1(CCSC1)NCF cf39ffd4c13c7c41acc4d61077751b1c [0,2,0,0,0,0|1,0,0]=3 437 B11R1.1239 O=C(O)C1(CCSC1)NCO 3fae1dc2d5c31d9670e750b45d12912c [0,2,0,0,0,0|1,0,0]=3 438 B11R1.1239 O=C(O)[C@@]1(CCOC1)NCF c1bc2ffbb54395faeac4f156892bbb76 [0,2,0,0,0,0|1,0,0]=3 439 B11R1.1239 O=C(O)[C@@]1(CCOC1)NCO 28be12823534eec4fc3227552df0461a [0,2,0,0,0,0|1,0,0]=3 440 B11R1.1239 O=C(O)[C@]1(CCOC1)NCF d9e8d22c58d04ac2694737f5aa8393ca [0,2,0,0,0,0|1,0,0]=3 441 B11R1.1239 O=C(O)[C@]1(CCOC1)NCO 06be82f47f4793d29dfe3c271695c2ab [0,2,0,0,0,0|1,0,0]=3 442 B9R1.95 CCN1CC(C1)C(=O)O 081311d3c14b920e24630a696a7ba3f7 [0,0,1,1,0,0|2,0,0]=4 443 B9R1.110 CC(C(=O)O)N1CCC1 ec88a5e0123d5408898cf9e078ab2e9b [0,0,1,1,0,0|2,0,0]=4 444 B9R1.110 C[C@@H](C(=O)O)N1CCC1 6d9f8aa04608a34debfa26472baad0e1 [0,0,1,1,0,0|2,0,0]=4 445 B9R1.110 C[C@H](C(=O)O)N1CCC1 b83116f410ba3b08b132985605530e43 [0,0,1,1,0,0|2,0,0]=4 446 B9R1.112 CC(NC1CC1)C(=O)O 9f16a679f53d1b6a7c598414dcc647c1 [0,0,1,1,0,0|2,0,0]=4 447 B9R1.112 CC(OC1CC1)C(=O)O c571a164b07a3b0ff7a8556f8699f4a3 [0,0,1,1,0,0|2,0,0]=4 448 B9R1.112 C[C@@H](NC1CC1)C(=O)O 0af862409a6887d25e25f4a186199a51 [0,0,1,1,0,0|2,0,0]=4 449 B9R1.112 C[C@@H](OC1CC1)C(=O)O 02a1dfde219281849e31ed75d43f36ac [0,0,1,1,0,0|2,0,0]=4 450 B9R1.112 C[C@H](NC1CC1)C(=O)O 8f50576c81c731defbf87059fbc2bbc5 [0,0,1,1,0,0|2,0,0]=4 451 B9R1.112 C[C@H](OC1CC1)C(=O)O 3ff101290c7cafe95c2fba539b32018c [0,0,1,1,0,0|2,0,0]=4 452 B9R1.112 O=C(O)C(F)NC1CC1 ab0cb5dbff8f96a53d4ab238afd2e5b2 [0,0,1,1,0,0|2,0,0]=4 453 B9R1.112 O=C(O)C(O)NC1CC1 5879b8d2b4559669899973f84acbc223 [0,0,1,1,0,0|2,0,0]=4 454 B9R1.112 O=C(O)[C@H](F)NC1CC1 2357739b82c4749fceebf72401d17ad2 [0,0,1,1,0,0|2,0,0]=4 455 B9R1.179 CCNC1(CC1)C(=O)O 1cafb4c96edddb896ab28b54eff680f2 [0,0,1,1,0,0|2,0,0]=4 456 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [1,0,0,0,1,0|2,0,0]=4 457 B9R0.4 CCCCC(C)NC(=O)C 8c6d1ed0c215b53ce5178d84ca54f179 [0,0,1,0,0,1|2,0,0]=4 458 B9R0.4 CCCCN(C)CC(=O)O 2ab0d2e55fe8aec010bf103a963bc69a [0,0,1,0,0,1|2,0,0]=4 459 B9R0.4 CCCC[C@@H](C)NC(=O)C 438042d33778c53023e503021e96ec24 [0,0,1,0,0,1|2,0,0]=4 460 B9R0.4 CCCNC(C)CC(=O)O 2d5bf9ae8b9d33e8e5f89637131f543d [0,0,1,0,0,1|2,0,0]=4 461 B9R0.4 CCCN[C@@H](C)CC(=O)O 7dd12827a70b6d0f3eb1d105dd87e0f1 [0,0,1,0,0,1|2,0,0]=4 462 B9R0.4 CCCN[C@H](C)CC(=O)O 49558fe427823d5af7fc8494312831dd [0,0,1,0,0,1|2,0,0]=4 463 B9R0.4 CCCOC(C)CC(=O)O 464f5b57c4d27de1c96f770591eff582 [0,0,1,0,0,1|2,0,0]=4 464 B9R0.4 CCCO[C@@H](C)CC(=O)O 672c62b3f5b285724de30ca7be3b4175 [0,0,1,0,0,1|2,0,0]=4 465 B9R0.4 CCCO[C@H](C)CC(=O)O 78d34951f815792f2a0561852a75d7ea [0,0,1,0,0,1|2,0,0]=4 466 B9R0.4 CCNCC(O)CC(=O)O 02bb2a3b8bce33db43c21894720f909a [0,0,1,0,0,1|2,0,0]=4 467 B9R0.4 CCNC[C@@H](O)CC(=O)O 54b4ddf2085c3305103a3bf1339d420e [0,0,1,0,0,1|2,0,0]=4 468 B9R0.4 CCNC[C@H](O)CC(=O)O 4584b045ec61df30c14bf052bebdc4b7 [0,0,1,0,0,1|2,0,0]=4 469 B9R0.58 CCNC(C)(C)CC(=O)O c2e011573111aa7d9c8a484914b52077 [0,0,1,0,0,1|2,0,0]=4 470 B9R0.63 CCC(C)(CC)NC(=O)C e531833667d78c7544d0ceeec6cf7519 [0,0,1,0,0,1|2,0,0]=4 471 B9R1.13 CC(=O)NC1CCCC1 a2d6bc9cfdeb39e26a278a42ee1d6324 [1,0,0,0,0,1|1,0,0]=3 472 B9R1.13 CC(=O)NC1CCOC1 c5177dfe9e6c084a2da585e140eb24a0 [1,0,0,0,0,1|2,0,0]=4 473 B9R1.13 CC(=O)NC1CCSC1 730ac5b1a87c9b477c5040aed194c284 [1,0,0,0,0,1|2,0,0]=4 474 B9R1.13 CC(=O)N[C@@H]1CCOC1 a0946b6158cd267ecce33909819f831a [1,0,0,0,0,1|2,0,0]=4 475 B9R1.13 CC(=O)N[C@H]1CCOC1 1f47913b87a63d932081a27afac44166 [1,0,0,0,0,1|2,0,0]=4 476 B9R1.13 O=C(O)CN1CCSC1 3cee187b91b84407a74d8a64ddd2529a [1,0,0,0,0,1|2,0,0]=4 477 B11R1.713 CC(=O)NCC1(CCCC1)C 49068df105a1e0093927b3a155969870 [0,0,0,0,0,2|2,0,0]=4 478 B11R1.713 CC(=O)NCC1(CCCC1)F d70d368862fa97a0d78df4be5956ed5e [0,0,0,0,0,2|2,0,0]=4 479 B11R1.713 CC(=O)NCC1(CCCC1)O a55896964c7a3e433580ab1c03e4096c [0,0,0,0,0,2|2,0,0]=4 480 B11R1.713 CC1(CCCC1)NCC(=O)N 188a976641cb74fa33aa33f47b857a55 [0,0,0,0,0,2|2,0,0]=4 481 B11R1.713 CC1(CCCC1)NCC(=O)O 3d28367f00bcd012127894952d69c332 [0,0,0,0,0,2|1,0,0]=3 482 B11R1.713 CC1(CCOC1)NCC(=O)O dd7f7fb7a6381790aa5df5e1eb3bf209 [0,0,0,0,0,2|2,0,0]=4 483 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [2,0,1,0,0,0|1,0,0]=4 484 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [2,0,1,0,0,0|1,0,0]=4 485 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [2,0,1,0,0,0|1,0,0]=4 486 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [2,0,1,0,0,0|1,0,0]=4 487 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [2,0,1,0,0,0|1,0,0]=4 488 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [2,0,1,0,0,0|1,0,0]=4 489 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [2,0,1,0,0,0|1,0,0]=4 490 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [2,0,1,0,0,0|1,0,0]=4 491 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [1,1,1,0,0,0|1,0,0]=4 492 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [1,1,1,0,0,0|1,0,0]=4 493 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [1,1,1,0,0,0|1,0,0]=4 494 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [1,1,1,0,0,0|1,0,0]=4 495 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [1,1,1,0,0,0|1,0,0]=4 496 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [1,1,1,0,0,0|1,0,0]=4 497 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [1,1,1,0,0,0|1,0,0]=4 498 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [1,1,1,0,0,0|1,0,0]=4 499 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [1,1,1,0,0,0|1,0,0]=4 500 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [1,1,1,0,0,0|1,0,0]=4 501 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [1,1,1,0,0,0|1,0,0]=4 502 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [1,1,1,0,0,0|1,0,0]=4 503 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [1,1,1,0,0,0|1,0,0]=4 504 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [1,1,1,0,0,0|1,0,0]=4 505 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [1,1,1,0,0,0|1,0,0]=4 506 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [1,1,1,0,0,0|1,0,0]=4 507 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [1,1,1,0,0,0|0,0,0]=3 508 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [1,1,1,0,0,0|1,0,0]=4 509 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [1,1,1,0,0,0|1,0,0]=4 510 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [1,1,1,0,0,0|0,0,0]=3 511 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [1,1,1,0,0,0|1,0,0]=4 512 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [1,1,1,0,0,0|1,0,0]=4 513 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [1,1,1,0,0,0|1,0,0]=4 514 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [1,1,1,0,0,0|0,0,0]=3 515 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [1,1,1,0,0,0|1,0,0]=4 516 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [1,1,1,0,0,0|1,0,0]=4 517 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [1,1,1,0,0,0|1,0,0]=4 518 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [1,1,1,0,0,0|0,0,0]=3 519 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [1,1,1,0,0,0|1,0,0]=4 520 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [1,1,1,0,0,0|0,0,0]=3 521 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [1,1,1,0,0,0|1,0,0]=4 522 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [1,1,1,0,0,0|1,0,0]=4 523 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [1,1,1,0,0,0|1,0,0]=4 524 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [1,1,1,0,0,0|1,0,0]=4 525 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [1,1,1,0,0,0|1,0,0]=4 526 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [1,1,1,0,0,0|1,0,0]=4 527 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [1,1,1,0,0,0|1,0,0]=4 528 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [1,1,1,0,0,0|1,0,0]=4 529 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [1,1,1,0,0,0|1,0,0]=4 530 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [1,1,1,0,0,0|1,0,0]=4 531 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [1,1,1,0,0,0|1,0,0]=4 532 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [1,1,1,0,0,0|1,0,0]=4 533 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [1,1,1,0,0,0|1,0,0]=4 534 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [1,1,1,0,0,0|1,0,0]=4 535 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [1,1,1,0,0,0|1,0,0]=4 536 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [1,1,1,0,0,0|1,0,0]=4 537 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [1,1,1,0,0,0|1,0,0]=4 538 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [1,1,1,0,0,0|1,0,0]=4 539 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [1,1,1,0,0,0|1,0,0]=4 540 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [1,1,1,0,0,0|1,0,0]=4 541 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [1,1,1,0,0,0|1,0,0]=4 542 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [1,1,1,0,0,0|1,0,0]=4 543 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [1,1,1,0,0,0|1,0,0]=4 544 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [1,1,1,0,0,0|1,0,0]=4 545 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [1,1,1,0,0,0|1,0,0]=4 546 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [1,1,1,0,0,0|1,0,0]=4 547 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [1,1,1,0,0,0|1,0,0]=4 548 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [1,1,1,0,0,0|1,0,0]=4 549 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [1,1,1,0,0,0|1,0,0]=4 550 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [1,1,1,0,0,0|1,0,0]=4 551 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [1,1,1,0,0,0|1,0,0]=4 552 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [1,1,1,0,0,0|1,0,0]=4 553 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [1,1,1,0,0,0|1,0,0]=4 554 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [1,1,1,0,0,0|1,0,0]=4 555 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [1,1,1,0,0,0|1,0,0]=4 556 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [1,1,1,0,0,0|1,0,0]=4 557 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [1,1,1,0,0,0|1,0,0]=4 558 B8R0.2 CCN(C)C(C)C(=O)O 6f2a7033474106426aec9bd9ed3b37aa [1,1,1,0,0,0|1,0,0]=4 559 B8R0.2 CCN(C)[C@@H](C)C(=O)O ccda40b7947e3ec868172b2d11a39e32 [1,1,1,0,0,0|1,0,0]=4 560 B8R0.2 CCN(C)[C@H](C)C(=O)O a423cd91a719c568f85e9128b6162ae1 [1,1,1,0,0,0|1,0,0]=4 561 B8R0.15 CCNC(CC)C(=O)O 811bed40f759e9415b190b45b938f031 [1,1,1,0,0,0|1,0,0]=4 562 B8R0.15 CCNC(CCl)C(=O)O a1a6122a812437e412d0d064cc9dd1e8 [1,1,1,0,0,0|1,0,0]=4 563 B8R0.15 CCNC(CF)C(=O)O 017cf9dba405ee85cd9a648c4507e326 [1,1,1,0,0,0|1,0,0]=4 564 B8R0.15 CCNC(CO)C(=O)O ebf98372f13717a9df2df682387bdc5a [1,1,1,0,0,0|1,0,0]=4 565 B8R0.15 CCNC(CS)C(=O)O 8d04389a625618eb9889b3cd17b2e8e6 [1,1,1,0,0,0|1,0,0]=4 566 B8R0.15 CCN[C@@H](CC)C(=O)O ad39164e8fc918d5e58308b586171474 [1,1,1,0,0,0|1,0,0]=4 567 B8R0.15 CCN[C@@H](CCl)C(=O)O 81a0c413a80ec8dc4a086548b2e2f8a3 [1,1,1,0,0,0|1,0,0]=4 568 B8R0.15 CCN[C@@H](CO)C(=O)O e2d91799e466e2d5ad0fbeab938b0c5a [1,1,1,0,0,0|1,0,0]=4 569 B8R0.15 CCN[C@@H](CS)C(=O)O ecb0401bca4bb7db9d87809814f9d4f3 [1,1,1,0,0,0|1,0,0]=4 570 B8R0.15 CCN[C@H](CC)C(=O)O f7f7d1d8bf30d5fe2da91fe96021fe3c [1,1,1,0,0,0|1,0,0]=4 571 B8R0.15 CCN[C@H](CCl)C(=O)O 26dcc066f21950a5ba1142c74ad60cbc [1,1,1,0,0,0|1,0,0]=4 572 B8R0.15 CCN[C@H](CO)C(=O)O ceca2f5f870f50fddc0292e18011d619 [1,1,1,0,0,0|1,0,0]=4 573 B8R0.15 CCN[C@H](CS)C(=O)O 7c010ea0d3f5055c0e7214a8d340a87c [1,1,1,0,0,0|1,0,0]=4 574 B8R0.15 CCOC(CC)C(=O)O 382aa920ebdd6f2bbe768902640ad9e2 [1,1,1,0,0,0|1,0,0]=4 575 B8R0.15 CCO[C@@H](CC)C(=O)O 94f5195873e16b29cb1b8369b5daad14 [1,1,1,0,0,0|1,0,0]=4 576 B8R0.15 CCO[C@H](CC)C(=O)O b8c9ca25086a8c61d2a1f7aecbcec13d [1,1,1,0,0,0|1,0,0]=4 577 B8R0.15 CCO[C@H](CF)C(=O)O afbab515ead87d58e6c9f68e24ff80d8 [1,1,1,0,0,0|1,0,0]=4 578 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [1,1,1,0,0,0|1,0,0]=4 579 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [1,1,1,0,0,0|1,0,0]=4 580 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [1,1,1,0,0,0|1,0,0]=4 581 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [1,1,1,0,0,0|1,0,0]=4 582 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [1,1,1,0,0,0|1,0,0]=4 583 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [1,1,1,0,0,0|1,0,0]=4 584 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [2,1,0,0,0,0|1,0,0]=4 585 B8R1.1 O=CN1CCC(C1)F 96284cdc191c7cba11f6a402b8eb117c [2,1,0,0,0,0|1,0,0]=4 586 B8R1.1 O=CN1CCC(C1)O 36bb47eb3389f04fbd153dabfa4995ad [2,1,0,0,0,0|1,0,0]=4 587 B8R1.1 O=CN1CC[C@@H](C1)F 008cec7e125285aba69bdec89e8d8fbf [2,1,0,0,0,0|1,0,0]=4 588 B8R1.1 O=CN1CC[C@@H](C1)O 75171cfcb992bb0c611e45c07ca0c61c [2,1,0,0,0,0|1,0,0]=4 589 B8R1.1 O=CN1CC[C@H](C1)F 27a4a903f78fd10dcf90e00458f77a70 [2,1,0,0,0,0|1,0,0]=4 590 B8R1.1 O=CN1CC[C@H](C1)O 4d35040bdf5a1607b14717edf31c1dc0 [2,1,0,0,0,0|1,0,0]=4 591 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [2,1,0,0,0,0|0,0,0]=3 592 B8R1.8 O=CNC1CCOC1 e7b13204a0b810870373335ae06b13c2 [2,1,0,0,0,0|1,0,0]=4 593 B8R1.8 O=CNC1CCSC1 82c5edb5966e6ade7f67bb51f82f09ea [2,1,0,0,0,0|1,0,0]=4 594 B8R1.8 O=CN[C@@H]1CCOC1 8b6fe9f11693342d0eb8e36d1ad51ff3 [2,1,0,0,0,0|1,0,0]=4 595 B8R1.8 O=CN[C@H]1CCOC1 f295aedd4a6355b7f9c423148debde31 [2,1,0,0,0,0|1,0,0]=4 596 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [2,1,0,0,0,0|0,0,1]=4 597 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [2,1,0,0,0,0|1,0,0]=4 598 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [2,1,0,0,0,0|1,0,0]=4 599 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [2,1,0,0,0,0|1,0,0]=4 600 B8R1.11 O=CN1CCCC1O a26ec465eebf98c295c9d7f5c4bb6e0a [2,1,0,0,0,0|1,0,0]=4 601 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [1,1,0,0,1,0|1,0,0]=4 602 B8R1.66 CC1(CCC1)NC=O c4f5dcbe0c8abcae670d3c633c591542 [1,1,0,0,1,0|1,0,0]=4 603 B10R0.6 CCCCNC(C)CC(=O)O c633822bdd37960050b77a4c542ea52f [0,1,1,0,0,1|1,0,0]=4 604 B10R0.6 CCCCN[C@@H](C)CC(=O)O fb7944b4d683d296fe4ee273d84f1842 [0,1,1,0,0,1|1,0,0]=4 605 B10R0.6 CCCCN[C@H](C)CC(=O)O effa4168fb691284724307507367e076 [0,1,1,0,0,1|1,0,0]=4 606 B10R0.6 CCCCOC(C)CC(=O)O 7d385d82783db9ce90ee671d43dd6564 [0,1,1,0,0,1|1,0,0]=4 607 B10R0.6 CCCCO[C@@H](C)CC(=O)O e0b1114df9792477e60a032af290ecc0 [0,1,1,0,0,1|1,0,0]=4 608 B10R0.6 CCCCO[C@H](C)CC(=O)O 72d7a585b30718443ba3a12d0dc6335b [0,1,1,0,0,1|1,0,0]=4 609 B10R0.6 CCCNCC(O)CC(=O)O 16b23299f37a8d9496c6c0b6251c38a9 [0,1,1,0,0,1|1,0,0]=4 610 B10R0.6 CCCNC[C@@H](O)CC(=O)O 291cb1436a6d09c088f19d633b5b0ffe [0,1,1,0,0,1|1,0,0]=4 611 B10R0.6 CCCNC[C@H](O)CC(=O)O d3a494af08bc1bf4019a0efd791c0770 [0,1,1,0,0,1|1,0,0]=4 612 B10R0.18 CCCCC(C)NC(=O)CO 8fb0c98abcb6f3d6cfa770bb2e2f5738 [0,1,1,0,0,1|1,0,0]=4 613 B10R0.18 CCCC[C@@H](C)NC(=O)CO c6508d24c14a6e10519c52d9dd7dd887 [0,1,1,0,0,1|1,0,0]=4 614 B10R0.134 CCC(C)(CC)NC(=O)CO 0c645c730bcf48a76b105befc3b55f72 [0,1,1,0,0,1|1,0,0]=4 615 B10R0.82 CCC(C)CNC(C)C(=O)O 4eb92c8159a8e92e27f6a629da094686 [0,2,1,0,0,0|1,0,0]=4 616 B10R0.82 CCC(C)CNC(O)C(=O)O 8d088909e12f440ef3ba7f8984680b08 [0,2,1,0,0,0|1,0,0]=4 617 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 65f8ca2265d995518df7c90bed3c39e8 [0,2,1,0,0,0|1,0,0]=4 618 B10R0.82 CCC(C)CN[C@H](C)C(=O)O f634393dcc7d43fc2a4e85725209b91f [0,2,1,0,0,0|1,0,0]=4 619 B10R0.82 CCC(C)COC(C)C(=O)O 92249b0717518a8eb4f7cca474352a95 [0,2,1,0,0,0|1,0,0]=4 620 B10R0.82 CCC(C)CO[C@@H](C)C(=O)O 4a92d3ed2a0783d216a842ac4d2bf860 [0,2,1,0,0,0|1,0,0]=4 621 B10R0.82 CCC(C)CO[C@H](C)C(=O)O 1522b26b55fe0e6482b3617a23a859f0 [0,2,1,0,0,0|1,0,0]=4 622 B10R0.82 CCC(C)NCC(C)C(=O)O bdea2ec5eec0145b433afba6681986da [0,2,1,0,0,0|1,0,0]=4 623 B10R0.82 CCC(C)NCC(F)C(=O)O 0161f5ccc1e16e8bc5d498729794df09 [0,2,1,0,0,0|1,0,0]=4 624 B10R0.82 CCC(C)NCC(O)C(=O)O 293e6d8f66a18fef6a815196424bc9de [0,2,1,0,0,0|1,0,0]=4 625 B10R0.82 CCC(C)NC[C@@H](C)C(=O)O 034de03d9b0c033e1f527fcc827c9920 [0,2,1,0,0,0|1,0,0]=4 626 B10R0.82 CCC(C)NC[C@@H](O)C(=O)O d275a36d8f661427c2f773c6d7e8b01e [0,2,1,0,0,0|1,0,0]=4 627 B10R0.82 CCC(C)NC[C@H](C)C(=O)O e33ae66e1d2b94e1d8edd8184dcbce51 [0,2,1,0,0,0|1,0,0]=4 628 B10R0.82 CCC(C)NC[C@H](O)C(=O)O 51f83390d9b74f2cc35f6149417ef947 [0,2,1,0,0,0|1,0,0]=4 629 B10R0.82 CCC(C)OCC(C)C(=O)O fef51914b5f50b6b3f826860bdf3beec [0,2,1,0,0,0|1,0,0]=4 630 B10R0.82 CCC(C)OC[C@@H](C)C(=O)O 127aee286a7c8753c9f4a1a8606c7fb6 [0,2,1,0,0,0|1,0,0]=4 631 B10R0.82 CCC(C)OC[C@H](C)C(=O)O 264348b162bd01bec4c55f35f8b9417d [0,2,1,0,0,0|1,0,0]=4 632 B10R0.82 CCC(O)CNC(C)C(=O)O 842db4266084ee90405c6773b78ea16f [0,2,1,0,0,0|1,0,0]=4 633 B10R0.82 CCC(O)CNC(F)C(=O)O 9d51851e66362d1cac2cbd742c53da37 [0,2,1,0,0,0|1,0,0]=4 634 B10R0.82 CCC(O)CNC(O)C(=O)O 8f1fa7eb99b19b7ec2d0f34265fbf217 [0,2,1,0,0,0|1,0,0]=4 635 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 2c0131f8131b95c5d73c3ae6c6762071 [0,2,1,0,0,0|1,0,0]=4 636 B10R0.82 CCC(O)CN[C@@H](F)C(=O)O ecb8997904a38b1ca31a2bac10e1f340 [0,2,1,0,0,0|1,0,0]=4 637 B10R0.82 CCC(O)CN[C@H](C)C(=O)O bd0fda6d5373b1a292d99aa701df05d5 [0,2,1,0,0,0|1,0,0]=4 638 B10R0.82 CC[C@@H](C)CNC(C)C(=O)O 575eb3bae8fcb5528050afed2c29b47f [0,2,1,0,0,0|1,0,0]=4 639 B10R0.82 CC[C@@H](C)CNC(O)C(=O)O 1fa01bc8a6527e921b693a127579aa93 [0,2,1,0,0,0|1,0,0]=4 640 B10R0.82 CC[C@@H](C)CN[C@@H](C)C(=O)O 08ef982151edac5e821282d4f7291dcd [0,2,1,0,0,0|1,0,0]=4 641 B10R0.82 CC[C@@H](C)CN[C@H](C)C(=O)O af0cf6c8321d1433101015c8e04794a3 [0,2,1,0,0,0|1,0,0]=4 642 B10R0.82 CC[C@@H](C)COC(C)C(=O)O a3162181255be473484b3f444f94ae27 [0,2,1,0,0,0|1,0,0]=4 643 B10R0.82 CC[C@@H](C)CO[C@@H](C)C(=O)O 795ab94096364a345e1acedfbf9b6292 [0,2,1,0,0,0|1,0,0]=4 644 B10R0.82 CC[C@@H](C)CO[C@H](C)C(=O)O a25e0758d6efd81d3fefb80b85da1845 [0,2,1,0,0,0|1,0,0]=4 645 B10R0.82 CC[C@@H](C)NCC(C)C(=O)O 774ecbb59144ae1e06642994989a93ac [0,2,1,0,0,0|1,0,0]=4 646 B10R0.82 CC[C@@H](C)OCC(C)C(=O)O c4799c6e888f8088ce9a4129b3deced2 [0,2,1,0,0,0|1,0,0]=4 647 B10R0.82 CC[C@@H](O)CNC(C)C(=O)O 777d6e2f6980f739e97aa87ef5e2acb7 [0,2,1,0,0,0|1,0,0]=4 648 B10R0.82 CC[C@@H](O)CNC(F)C(=O)O 2f7475f71ab6ad49283c0b18d69bc7bb [0,2,1,0,0,0|1,0,0]=4 649 B10R0.82 CC[C@@H](O)CN[C@@H](C)C(=O)O 3922255426b7a2756c6e9329c3c09809 [0,2,1,0,0,0|1,0,0]=4 650 B10R0.82 CC[C@@H](O)CN[C@@H](F)C(=O)O ab9cd36d1b0ccecee9e52b8fb1b13cd1 [0,2,1,0,0,0|1,0,0]=4 651 B10R0.82 CC[C@@H](O)CN[C@H](C)C(=O)O d5e9a704b546ec22a6c5ec93a85538eb [0,2,1,0,0,0|1,0,0]=4 652 B10R0.82 CC[C@H](C)CNC(C)C(=O)O b127f8e375319603be9d404268fffe7b [0,2,1,0,0,0|1,0,0]=4 653 B10R0.82 CC[C@H](C)CNC(O)C(=O)O e881655dade6b5c0776cc38b908364f1 [0,2,1,0,0,0|1,0,0]=4 654 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 0ffbe98d72b81e0b7355b65deb2cd4e6 [0,2,1,0,0,0|1,0,0]=4 655 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)O 49c6cf7b45c72f8fd1f02aebf1b83aa0 [0,2,1,0,0,0|1,0,0]=4 656 B10R0.82 CC[C@H](C)COC(C)C(=O)O 758deaa65155705fe3eb8126f381caeb [0,2,1,0,0,0|1,0,0]=4 657 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)O 1c975370f639d3ded1b5347d376d1f3b [0,2,1,0,0,0|1,0,0]=4 658 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)O 1c5165ea87b821648abe0dedecd36ec4 [0,2,1,0,0,0|1,0,0]=4 659 B10R0.82 CC[C@H](C)NCC(C)C(=O)O 168affa2f0797d6cd88a838f2524904b [0,2,1,0,0,0|1,0,0]=4 660 B10R0.82 CC[C@H](C)OCC(C)C(=O)O 65a44931dc77db5ba367976f49c26c74 [0,2,1,0,0,0|1,0,0]=4 661 B10R0.83 CCCCNC(C)C(=O)OC f0cedc72d611e5d88715cb6708e886af [0,2,1,0,0,0|1,0,0]=4 662 B10R0.83 CCCCN[C@@H](C)C(=O)OC 7afc25d414d6cde30252e45be2eeb676 [0,2,1,0,0,0|1,0,0]=4 663 B10R0.83 CCCCN[C@H](C)C(=O)OC 3972d17c83b9b022852f0d979b569e04 [0,2,1,0,0,0|1,0,0]=4 664 B10R0.83 CCCCOC(C)C(=O)OC 0d4b83716c5bd9eb51aa14b21aa4162c [0,2,1,0,0,0|1,0,0]=4 665 B10R0.83 CCCCO[C@@H](C)C(=O)OC 4e789130f484de4b40c9783b02af8fda [0,2,1,0,0,0|1,0,0]=4 666 B10R0.83 CCCCO[C@H](C)C(=O)OC 0fafb61c1cfa3e6f4cf3b374f4c189ea [0,2,1,0,0,0|1,0,0]=4 667 B10R0.83 CCCNCC(C)C(=O)OC 57727a403724dfe50b8d437787d76ed6 [0,2,1,0,0,0|1,0,0]=4 668 B10R0.83 CCCNCC(O)C(=O)OC d0bb5918496e7a2fafd46469577e6de1 [0,2,1,0,0,0|1,0,0]=4 669 B10R0.83 CCCNC[C@@H](C)C(=O)OC a95575c89720b21d6b93ba98d7032f5a [0,2,1,0,0,0|1,0,0]=4 670 B10R0.83 CCCNC[C@H](C)C(=O)OC 316f6eed3006a79710df808f54a1c280 [0,2,1,0,0,0|1,0,0]=4 671 B10R0.83 CCCOCC(C)C(=O)OC 47499688e4f7c9e33ed564f5e15701fc [0,2,1,0,0,0|1,0,0]=4 672 B10R0.83 CCCOCC(F)C(=O)OC df2028ca52556e2047141faa53839f6b [0,2,1,0,0,0|1,0,0]=4 673 B10R0.83 CCCOC[C@@H](C)C(=O)OC f8911d6a573e2b1b546b174b77435b3f [0,2,1,0,0,0|1,0,0]=4 674 B10R0.83 CCCOC[C@H](C)C(=O)OC aed287a2a4d227e9b64159ddb599c5f3 [0,2,1,0,0,0|1,0,0]=4 675 B10R0.17 CCOCC(C(=O)O)N(C)C 51e494dde183ff785440b48739abadf4 [0,2,1,0,0,0|1,0,0]=4 676 B10R0.17 CCOC[C@@H](C(=O)O)N(C)C 7fbaf6403582375900900cd1284e7590 [0,2,1,0,0,0|1,0,0]=4 677 B10R0.86 C#CC(OCCCC)C(=O)O 836085c35bc212c8b9fc4c10308f4e60 [0,2,1,0,0,0|1,0,0]=4 678 B10R0.86 C=CC(NCCCC)C(=O)O da5926850cba2bee635639e54e439153 [0,2,1,0,0,0|1,0,0]=4 679 B10R0.86 C=C[C@H](NCCCC)C(=O)O 4684c45a6d2cd39abe7f6a2f3997e9b6 [0,2,1,0,0,0|1,0,0]=4 680 B10R0.86 CCCCNC(CC)C(=O)O cfca1c9e3ea778edda886fbfac44c654 [0,2,1,0,0,0|1,0,0]=4 681 B10R0.86 CCCCNC(CCl)C(=O)O dbe527970db6d5be5939804abe51f77f [0,2,1,0,0,0|1,0,0]=4 682 B10R0.86 CCCCNC(CF)C(=O)O acc40e362fb74ab8a6e6e7e3be70f5d6 [0,2,1,0,0,0|1,0,0]=4 683 B10R0.86 CCCCNC(CO)C(=O)O 6177fbb975204d2fe26714ff8f3c0306 [0,2,1,0,0,0|1,0,0]=4 684 B10R0.86 CCCCNC(CS)C(=O)O bb7ff839c02d24e84e2be4b6cf8dca34 [0,2,1,0,0,0|1,0,0]=4 685 B10R0.86 CCCCN[C@@H](CC)C(=O)O 930ca8da4e7c5ae2754a07f3a4814639 [0,2,1,0,0,0|1,0,0]=4 686 B10R0.86 CCCCN[C@@H](CCl)C(=O)O 24b5eab8e9877c1d41dbae66d9e9c495 [0,2,1,0,0,0|1,0,0]=4 687 B10R0.86 CCCCN[C@@H](CO)C(=O)O 75af49424cb2a37a11371a8cdf207183 [0,2,1,0,0,0|1,0,0]=4 688 B10R0.86 CCCCN[C@@H](CS)C(=O)O 7e2c69db592308969b373b1303e454ce [0,2,1,0,0,0|1,0,0]=4 689 B10R0.86 CCCCN[C@H](CC)C(=O)O 984c4215ac999f4ae79146bb9ff08103 [0,2,1,0,0,0|1,0,0]=4 690 B10R0.86 CCCCN[C@H](CCl)C(=O)O 6d56dfceb1fefadaf38dcdfd3e6ec7f1 [0,2,1,0,0,0|1,0,0]=4 691 B10R0.86 CCCCN[C@H](CO)C(=O)O 32ea0f4744c564e578bb7b59edb125f9 [0,2,1,0,0,0|1,0,0]=4 692 B10R0.86 CCCCN[C@H](CS)C(=O)O 7b92fa1059944ba7da1644bbc82acb8e [0,2,1,0,0,0|1,0,0]=4 693 B10R0.86 CCCCOC(CC)C(=O)O 02c74ec6bc64a918c09890438800137f [0,2,1,0,0,0|1,0,0]=4 694 B10R0.86 CCCCOC(CF)C(=O)O fc99a06e383a687cbc2e0de387396567 [0,2,1,0,0,0|1,0,0]=4 695 B10R0.86 CCCCO[C@@H](CC)C(=O)O 29d354ef6b46737ae3172c4a019d5dc2 [0,2,1,0,0,0|1,0,0]=4 696 B10R0.86 CCCCO[C@H](CC)C(=O)O 7fa13262dea5ed1da5ad15467b8332ee [0,2,1,0,0,0|1,0,0]=4 697 B10R0.86 CCCCO[C@H](CF)C(=O)O 08e2bfcc3d21c9ca32a2bc7079b041bd [0,2,1,0,0,0|1,0,0]=4 698 B10R0.86 CCCNCC(C#N)C(=O)O 84f35138d9b33755a39ff9916a7d74d8 [0,2,1,0,0,0|0,0,1]=4 699 B10R0.86 CCCNC[C@H](CC)C(=O)O 6a574743cffa1b13d9ca61537185a6ff [0,2,1,0,0,0|1,0,0]=4 700 B10R0.86 CCCNC[C@H](CO)C(=O)O 2767c9bde17c345993aaa281729aa2cf [0,2,1,0,0,0|1,0,0]=4 701 B10R0.86 CCNCCC(OC)C(=O)O bea500aceafbd349561c5c5c88889533 [0,2,1,0,0,0|1,0,0]=4 702 B10R0.88 CCCCC(NC#N)C(=O)N 02a754b1141b852f06e3323786291d0d [0,2,1,0,0,0|1,0,0]=4 703 B10R0.88 CCCCC(NC#N)C(=O)O 28ae94a0c86d6b2c77c855b58c6126e4 [0,2,1,0,0,0|0,0,0]=3 704 B10R0.88 CCCCC(NC=O)C(=O)N e8dda810d7802c4d9f4c2798c0d7298b [0,2,1,0,0,0|1,0,0]=4 705 B10R0.88 CCCCC(NCC)C(=O)N c1258c9de45345833efaa8f5b9efa1e8 [0,2,1,0,0,0|1,0,0]=4 706 B10R0.88 CCCCC(NCC)C(=O)O 19afefdf9a0dc101c3e3fca215d9c7b1 [0,2,1,0,0,0|0,0,0]=3 707 B10R0.88 CCCCC(NCF)C(=O)N 48d4dab90fc246c837cf691f103fa10f [0,2,1,0,0,0|1,0,0]=4 708 B10R0.88 CCCCC(NCF)C(=O)O 69e9649e038a8ecf78ce53405e602367 [0,2,1,0,0,0|0,0,0]=3 709 B10R0.88 CCCCC(NCO)C(=O)N c3ea493d5a49bc6c9c041c4af98a4e9a [0,2,1,0,0,0|1,0,0]=4 710 B10R0.88 CCCCC(NCO)C(=O)O 8d663557413d6ccb986ebe7058c76389 [0,2,1,0,0,0|0,0,0]=3 711 B10R0.88 CCCCC(OCC)C(=O)O 0f352149ce74024fc046b5ca610f4e45 [0,2,1,0,0,0|1,0,0]=4 712 B10R0.88 CCCCC(OCF)C(=O)O c22232cfbde720333bfa0e5341c8a6b0 [0,2,1,0,0,0|1,0,0]=4 713 B10R0.88 CCCC[C@@H](NCC)C(=O)O 95ad414be444c13b7955e67f44252ff1 [0,2,1,0,0,0|0,0,0]=3 714 B10R0.88 CCCC[C@@H](NCF)C(=O)O 66f1ba402b56b1bb56335dcea0791efc [0,2,1,0,0,0|0,0,0]=3 715 B10R0.88 CCCC[C@@H](NCO)C(=O)O 28b817db1f487deb016536f9133dc563 [0,2,1,0,0,0|0,0,0]=3 716 B10R0.88 CCCC[C@@H](OCC)C(=O)O 6d2de7eeef8fa36ba16abc39c96c4de8 [0,2,1,0,0,0|1,0,0]=4 717 B10R0.88 CCCC[C@@H](OCF)C(=O)O 1dcb7bbff2be26a954aed7004b3941aa [0,2,1,0,0,0|1,0,0]=4 718 B10R0.88 CCCC[C@H](NCC)C(=O)O cf01ba2ece95c0be4aa1f2867e8d34b1 [0,2,1,0,0,0|0,0,0]=3 719 B10R0.88 CCCC[C@H](NCF)C(=O)O e4ee9e4f88218256adc840a564a154ce [0,2,1,0,0,0|0,0,0]=3 720 B10R0.88 CCCC[C@H](NCO)C(=O)O d11dbe86445a1bafbb9afa2ccfbfda69 [0,2,1,0,0,0|0,0,0]=3 721 B10R0.88 CCCC[C@H](OCC)C(=O)O 735b82d55f6f8b61c7d0c4b06f432e62 [0,2,1,0,0,0|1,0,0]=4 722 B10R0.88 CCCC[C@H](OCF)C(=O)O 1ca7c37686f7a1c33a26a81e2366b288 [0,2,1,0,0,0|1,0,0]=4 723 B10R0.88 CCNC(CCSC)C(=O)O 82548539575ba824e7a2098a35cd1dac [0,2,1,0,0,0|1,0,0]=4 724 B10R0.88 CCN[C@@H](CCCO)C(=O)O 31b58d64b2612b4ac3e859096c7cd00c [0,2,1,0,0,0|1,0,0]=4 725 B10R0.88 CCN[C@@H](CCOC)C(=O)O 4cef9fb1300898592974c5e4ff38b7ca [0,2,1,0,0,0|1,0,0]=4 726 B10R0.88 CCN[C@@H](CCSC)C(=O)O b07091ff90877dbf86b5359ad286371e [0,2,1,0,0,0|1,0,0]=4 727 B10R0.88 CCN[C@H](CCCO)C(=O)O 6608e7e92d586587a3ac50b988c050b9 [0,2,1,0,0,0|1,0,0]=4 728 B10R0.88 CCN[C@H](CCSC)C(=O)O de9c0e07f6ad6132a81825d3b738d0b9 [0,2,1,0,0,0|1,0,0]=4 729 B10R0.88 COCC[C@H](NCF)C(=O)O ccf8b034dc356b61529306f3f07cb729 [0,2,1,0,0,0|1,0,0]=4 730 B10R0.88 COCC[C@H](NCO)C(=O)O 5fddba9a0a8bcc52d0a4ec6f24750ba6 [0,2,1,0,0,0|1,0,0]=4 731 B10R0.88 CSCCC(NCF)C(=O)O 0c886b73faabbd0b0069934c6a32b004 [0,2,1,0,0,0|1,0,0]=4 732 B10R0.88 CSCCC(NCO)C(=O)O 6e5a81214f86db9f27b5ff3a42c7381a [0,2,1,0,0,0|1,0,0]=4 733 B10R0.88 CSCC[C@@H](NCF)C(=O)O d9b7ca4fa2852a050059a1f69879eaa8 [0,2,1,0,0,0|1,0,0]=4 734 B10R0.88 CSCC[C@@H](NCO)C(=O)O cfe1b330a9d04d7bbee42e773919874f [0,2,1,0,0,0|1,0,0]=4 735 B10R0.88 CSCC[C@H](NCF)C(=O)O 7a45bb08ad4052f001315259fa153a10 [0,2,1,0,0,0|1,0,0]=4 736 B10R0.88 CSCC[C@H](NCO)C(=O)O 5343fc90446948f8f7453c75ed67c8a5 [0,2,1,0,0,0|1,0,0]=4 737 B10R0.88 O=C(O)[C@@H](CCCO)NCF fbdad64688e550098251346ad0438f08 [0,2,1,0,0,0|1,0,0]=4 738 B10R0.88 O=C(O)[C@@H](CCCO)NCO 383a86a2b4ad761ce6f8767c971513b5 [0,2,1,0,0,0|1,0,0]=4 739 B10R0.88 O=C(O)[C@H](CCCO)NCF 06a6a559ad6581cffdc6124692b5fd3b [0,2,1,0,0,0|1,0,0]=4 740 B10R0.88 O=C(O)[C@H](CCCO)NCO 889a19ec250ff9002c88d94420bc98b7 [0,2,1,0,0,0|1,0,0]=4 741 B10R0.26 CCCC(C)NC(C)C(=O)O bd2c6cf788e367f1d5b02eb39de15904 [0,2,1,0,0,0|1,0,0]=4 742 B10R0.26 CCCC(C)NC(O)C(=O)O 1884088cb553537f73bea3607aeff497 [0,2,1,0,0,0|1,0,0]=4 743 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 4f7356b49098c8f64f5d7ed2747efc29 [0,2,1,0,0,0|1,0,0]=4 744 B10R0.26 CCCC(C)N[C@H](C)C(=O)O 28b470b712609fa3c6b26cb428c6a883 [0,2,1,0,0,0|1,0,0]=4 745 B10R0.26 CCCN(C)CC(C)C(=O)O 11201fbb47f78bfeec2a0cfc49112b70 [0,2,1,0,0,0|1,0,0]=4 746 B10R0.26 CCCN(C)CC(O)C(=O)O 2a482740c1ee9c1dd534a9818ec2501b [0,2,1,0,0,0|1,0,0]=4 747 B10R0.26 CCCN(C)C[C@H](O)C(=O)O 5d48a5bd3542ce66f2b5dbe85cf41917 [0,2,1,0,0,0|1,0,0]=4 748 B10R0.26 CCC[C@H](C)NC(C)C(=O)O c206bcb8501bc978109f18ee80955d75 [0,2,1,0,0,0|1,0,0]=4 749 B10R0.26 CCC[C@H](C)N[C@@H](C)C(=O)O 5918392b3be38e6c576fc2b826ce1d63 [0,2,1,0,0,0|1,0,0]=4 750 B10R0.26 CCC[C@H](C)N[C@H](C)C(=O)O 7e1415bd5b9a86d949a7cb631109cebf [0,2,1,0,0,0|1,0,0]=4 751 B10R0.42 CCCCNC(C)(C)C(=O)O f495c96f13efeccda6b12ab0d2e6ee64 [0,2,1,0,0,0|1,0,0]=4 752 B10R0.42 CCCNCC(C)(C)C(=O)O 1ccbd001c6743740bfcf2af87df0b0c7 [0,2,1,0,0,0|1,0,0]=4 753 B10R0.42 CCCNCC(C)(O)C(=O)O 75ca685eb56a4e663af18534fb9b8625 [0,2,1,0,0,0|1,0,0]=4 754 B10R0.42 CCCNCC(F)(F)C(=O)O 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[0,2,1,0,0,0|1,0,0]=4 857 B10R0.75 CSCNCC[C@H](O)C(=O)O 743924326ec47e16033d94ae95e0cadb [0,2,1,0,0,0|1,0,0]=4 858 B10R0.75 C[C@@H](CNCCCF)C(=O)O 1945bb11a227de8d514ef56a15c73c06 [0,2,1,0,0,0|1,0,0]=4 859 B10R0.75 C[C@@H](CNCCCO)C(=O)O 0600dfa8d5ce99863097968e7b901e75 [0,2,1,0,0,0|1,0,0]=4 860 B10R0.75 C[C@@H](CNCCCS)C(=O)O ed057e7c6d5b68d70c1d9bf1c59ed2c4 [0,2,1,0,0,0|1,0,0]=4 861 B10R0.75 C[C@@H](COCCCF)C(=O)O 2a5576afa2738f78448ffe14daec5d5b [0,2,1,0,0,0|1,0,0]=4 862 B10R0.75 C[C@@H](COCCCS)C(=O)O 3315c0de02285a9e1c624d568ceff091 [0,2,1,0,0,0|1,0,0]=4 863 B10R0.75 C[C@@H](NCCCCCl)C(=O)O dfcb9f8ae748465fc13532e2a08fec7a [0,2,1,0,0,0|1,0,0]=4 864 B10R0.75 C[C@@H](NCCCCF)C(=O)O 49567e86b68642a599c2fc8a04ca58dc [0,2,1,0,0,0|1,0,0]=4 865 B10R0.75 C[C@@H](NCCCCO)C(=O)O fc2960ab9447c61f7ee313406493816e [0,2,1,0,0,0|1,0,0]=4 866 B10R0.75 C[C@@H](NCCCCS)C(=O)O 47848dd0075af980a92096b0fb7dffe0 [0,2,1,0,0,0|1,0,0]=4 867 B10R0.75 C[C@@H](OCCCCF)C(=O)O 7bf7c08cd456746ff9c5a1093290cc12 [0,2,1,0,0,0|1,0,0]=4 868 B10R0.75 C[C@H](CNCCCF)C(=O)O 17a102b54c5459c5476cb8f8a74d692c [0,2,1,0,0,0|1,0,0]=4 869 B10R0.75 C[C@H](CNCCCO)C(=O)O af7a2c0a7f68894696358259f3b6617c [0,2,1,0,0,0|1,0,0]=4 870 B10R0.75 C[C@H](CNCCCS)C(=O)O dfc2557c0615b0f77f17da932856b1c0 [0,2,1,0,0,0|1,0,0]=4 871 B10R0.75 C[C@H](COCCCF)C(=O)O 33550bbb64f3c931bdd974414d3aaee6 [0,2,1,0,0,0|1,0,0]=4 872 B10R0.75 C[C@H](COCCCS)C(=O)O bae2089bb8473bc491cd066708a4f551 [0,2,1,0,0,0|1,0,0]=4 873 B10R0.75 C[C@H](NCCCCCl)C(=O)O 122350c1c341412d0d43bd05ab68f9e0 [0,2,1,0,0,0|1,0,0]=4 874 B10R0.75 C[C@H](NCCCCF)C(=O)O 675b37b8e4240ba1491fee21927eb746 [0,2,1,0,0,0|1,0,0]=4 875 B10R0.75 C[C@H](NCCCCO)C(=O)O c445a3e289904fa28e5ba8b7bd4aacc8 [0,2,1,0,0,0|1,0,0]=4 876 B10R0.75 C[C@H](NCCCCS)C(=O)O bb4ebed3985048c148ce32657f9fd33f [0,2,1,0,0,0|1,0,0]=4 877 B10R0.75 C[C@H](OCCCCF)C(=O)O d2b1e0a5c7f8bd0102a1a298b58e5b2c [0,2,1,0,0,0|1,0,0]=4 878 B10R0.75 O=C(O)C(F)CCNCCF 4ccf6598a98a805d36ad248e4e66b97b [0,2,1,0,0,0|1,0,0]=4 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[0,2,1,0,0,0|1,0,0]=4 891 B10R0.75 O=C(O)C(O)NCCCCO 7110ba7b7e3eb0eb4f8d0bf7331edb9e [0,2,1,0,0,0|1,0,0]=4 892 B10R0.75 O=C(O)[C@@H](O)CCNCCF e50bd41a53efd9c0ab24c17df2012f7f [0,2,1,0,0,0|1,0,0]=4 893 B10R0.75 O=C(O)[C@@H](O)CCNCCO 10b541f576ed1c87d335faf8a6b596b0 [0,2,1,0,0,0|1,0,0]=4 894 B10R0.75 O=C(O)[C@@H](O)CCNCCS 3c3c7040da611de8eafc6903b31a0bf3 [0,2,1,0,0,0|1,0,0]=4 895 B10R0.75 O=C(O)[C@@H](O)CNCCCCl f128c0c5fa5a2be7a3ae81211c775d1f [0,2,1,0,0,0|1,0,0]=4 896 B10R0.75 O=C(O)[C@@H](O)CNCCCF 2c7e1b555185bedc525cdbd0c21f229e [0,2,1,0,0,0|1,0,0]=4 897 B10R0.75 O=C(O)[C@@H](O)CNCCCO 0909269fe45f5137d6876ff98e19d727 [0,2,1,0,0,0|1,0,0]=4 898 B10R0.75 O=C(O)[C@@H](O)CNCCCS 1f4cf1497dfea99a4a0221cefee37a86 [0,2,1,0,0,0|1,0,0]=4 899 B10R0.75 O=C(O)[C@H](O)CNCCCF bf00b75790ea63119fc32841cac21ae2 [0,2,1,0,0,0|1,0,0]=4 900 B10R0.75 O=C(O)[C@H](O)CNCCCO 13b6a75e1d8201592c2b3cd65e45cd45 [0,2,1,0,0,0|1,0,0]=4 901 B10R0.75 O=C(O)[C@H](O)CNCCCS 9a349ef4aaa19c39cd57ddd5f09fc89f [0,2,1,0,0,0|1,0,0]=4 902 B10R0.98 CC(C)CCNC(C)C(=O)O 7c356ad363206dbfb94332f95583e6c7 [0,2,1,0,0,0|1,0,0]=4 903 B10R0.98 CC(C)CCNC(F)C(=O)O f6005c29c218d3678403207954439f46 [0,2,1,0,0,0|1,0,0]=4 904 B10R0.98 CC(C)CCNC(O)C(=O)O ff9959618e255f3f01dc630482dc2c11 [0,2,1,0,0,0|1,0,0]=4 905 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 48ba99fb8c9035c214263be063bd2701 [0,2,1,0,0,0|1,0,0]=4 906 B10R0.98 CC(C)CCN[C@@H](F)C(=O)O 9d323772148a29581c5add33b310acbe [0,2,1,0,0,0|1,0,0]=4 907 B10R0.98 CC(C)CCN[C@H](C)C(=O)O 44604275ff37ce77d5b1b9d5fa5ff127 [0,2,1,0,0,0|1,0,0]=4 908 B10R0.98 CC(C)CCOC(C)C(=O)O be1540d3490c421fbd3facefcdcb90fd [0,2,1,0,0,0|1,0,0]=4 909 B10R0.98 CC(C)CCO[C@@H](C)C(=O)O ba67932c38534671015a4b563b780481 [0,2,1,0,0,0|1,0,0]=4 910 B10R0.98 CC(C)CCO[C@H](C)C(=O)O d9f942a525d318084f970825882bd429 [0,2,1,0,0,0|1,0,0]=4 911 B10R0.98 CC(C)CNCC(C)C(=O)O 0b0cb0a7503d34784ba06d7d95f6634c [0,2,1,0,0,0|1,0,0]=4 912 B10R0.98 CC(C)CNCC(F)C(=O)O 92d5e0d6cc951e6812b9f57639c63b18 [0,2,1,0,0,0|1,0,0]=4 913 B10R0.98 CC(C)CNCC(O)C(=O)O 5b8d0e09a6ebcfe17a385e0e3323b2bf [0,2,1,0,0,0|1,0,0]=4 914 B10R0.98 CC(C)CNC[C@@H](C)C(=O)O 6a925fecbce36afb11f9e9dbec22cc1b [0,2,1,0,0,0|1,0,0]=4 915 B10R0.98 CC(C)CNC[C@@H](O)C(=O)O 9c20323571595ca9c54ab9cdd94bfd43 [0,2,1,0,0,0|1,0,0]=4 916 B10R0.98 CC(C)CNC[C@H](C)C(=O)O cab4ff6dd2f5e01b6768fb9f7000ee34 [0,2,1,0,0,0|1,0,0]=4 917 B10R0.98 CC(C)CNC[C@H](O)C(=O)O ab12d78643289439e18248e8323c6d84 [0,2,1,0,0,0|1,0,0]=4 918 B10R0.98 CC(C)COCC(C)C(=O)O ba81c91813524d0a838dd0f8d05e5930 [0,2,1,0,0,0|1,0,0]=4 919 B10R0.98 CC(C)COC[C@@H](C)C(=O)O 1bb47428e3f080db3944f5e2f3e90f8e [0,2,1,0,0,0|1,0,0]=4 920 B10R0.98 CC(C)COC[C@H](C)C(=O)O 2af5f914f748091ae0a1a311627fbff5 [0,2,1,0,0,0|1,0,0]=4 921 B10R0.98 CC(C)NCCC(F)C(=O)O ea3d1382e2b9e5afad75160f921fad81 [0,2,1,0,0,0|1,0,0]=4 922 B10R0.98 CC(C)NCCC(O)C(=O)O 0cba2410a56cef65b53fd774b6460b7f [0,2,1,0,0,0|1,0,0]=4 923 B10R0.98 CC(C)NCC[C@H](O)C(=O)O 83ba59224d375c4b4e4f80a59ab8ae66 [0,2,1,0,0,0|1,0,0]=4 924 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O ffe68cb1cf0529caaa32b5ba68082474 [0,2,1,0,0,0|1,0,0]=4 925 B10R0.98 CC(CNC[C@H](C)O)C(=O)O a962ee6d5b3f33d87f0d30f2c111752e [0,2,1,0,0,0|1,0,0]=4 926 B10R0.98 CC(COC[C@@H](C)F)C(=O)O 6949c7cbec4c67294d263be2ec088e82 [0,2,1,0,0,0|1,0,0]=4 927 B10R0.98 CC(COC[C@H](C)F)C(=O)O 836e4ef4a1a8ace58256e7da791d59d3 [0,2,1,0,0,0|1,0,0]=4 928 B10R0.98 CC(F)COCC(C)C(=O)O 923ad77f456d61932ce4501e8973646c [0,2,1,0,0,0|1,0,0]=4 929 B10R0.98 CC(NCC[C@@H](C)O)C(=O)O 638961694cac5e25f25d04059f80c1a9 [0,2,1,0,0,0|1,0,0]=4 930 B10R0.98 CC(NCC[C@H](C)O)C(=O)O 2d97e4d1f6ba82375be6c755b78c46eb [0,2,1,0,0,0|1,0,0]=4 931 B10R0.98 CC(O)CCNC(C)C(=O)O 743b5734155aeab8ecffa661a084279c [0,2,1,0,0,0|1,0,0]=4 932 B10R0.98 CC(O)CCNC(O)C(=O)O be3cf1c12d7146c585c7826c8ff136a7 [0,2,1,0,0,0|1,0,0]=4 933 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O a5c032a819ad3e0025084766595db654 [0,2,1,0,0,0|1,0,0]=4 934 B10R0.98 CC(O)CCN[C@H](C)C(=O)O 61a886134e1419c4544db8972f045789 [0,2,1,0,0,0|1,0,0]=4 935 B10R0.98 CC(O)CNCC(C)C(=O)O e7c0bd85618ac399022dcc03d155a9ea [0,2,1,0,0,0|1,0,0]=4 936 B10R0.98 CC(O)CNCC(F)C(=O)O ad990f9b168674ea86858ed366045894 [0,2,1,0,0,0|1,0,0]=4 937 B10R0.98 CC(O)CNCC(O)C(=O)O 6ebf935f011517db5e449ff45bfbf5cb [0,2,1,0,0,0|1,0,0]=4 938 B10R0.98 CC(O)CNC[C@@H](C)C(=O)O 3ba58d29337007268cf5f2174d0140a4 [0,2,1,0,0,0|1,0,0]=4 939 B10R0.98 CC(O)CNC[C@@H](O)C(=O)O 8ea4ffbf11b3d19125aeccde6aa89209 [0,2,1,0,0,0|1,0,0]=4 940 B10R0.98 CC(O)CNC[C@H](C)C(=O)O 4aeb5c3a58d1eaa2866c19c740d1971e [0,2,1,0,0,0|1,0,0]=4 941 B10R0.98 CC(O)CNC[C@H](O)C(=O)O 5d36e921426db3e3411c7b046bd1ef69 [0,2,1,0,0,0|1,0,0]=4 942 B10R0.98 CC(S)COCC(C)C(=O)O 2325ba542c3fe88d083ae7b520c50117 [0,2,1,0,0,0|1,0,0]=4 943 B10R0.98 C[C@@H](O)CCN[C@H](C)C(=O)O 95413991a1737a606e6c43cd31332ed9 [0,2,1,0,0,0|1,0,0]=4 944 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 1a6e2a371093c286422b1992f2656ee1 [0,2,1,0,0,0|1,0,0]=4 945 B10R0.98 C[C@@H](O)CNCC(O)C(=O)O 43b8fcd0cff8f01d7b2f32d27dedb579 [0,2,1,0,0,0|1,0,0]=4 946 B10R0.98 C[C@@H](O)CNC[C@@H](O)C(=O)O 2e35011a864928fb460c5b6783278ffb [0,2,1,0,0,0|1,0,0]=4 947 B10R0.98 C[C@@H](O)CNC[C@H](C)C(=O)O f36cdcee9e17ea72bac8461876581d04 [0,2,1,0,0,0|1,0,0]=4 948 B10R0.98 C[C@@H](O)CNC[C@H](O)C(=O)O a05a4fc6fe2491d50a1db2305c464a4c [0,2,1,0,0,0|1,0,0]=4 949 B10R0.98 C[C@H](CNC[C@@H](C)O)C(=O)O f03369a4f16a9d4882d0a8dfccc92c94 [0,2,1,0,0,0|1,0,0]=4 950 B10R0.98 C[C@H](NCC[C@@H](C)O)C(=O)O f3664faad10d57e6f177dee758ef6d7f [0,2,1,0,0,0|1,0,0]=4 951 B10R0.98 C[C@H](O)CCN[C@@H](C)C(=O)O e5a67e8cd4f3e8163781fa7fa60a147e [0,2,1,0,0,0|1,0,0]=4 952 B10R0.98 C[C@H](O)CCN[C@H](C)C(=O)O 4bc984973efb61162fed0ac0f80bc160 [0,2,1,0,0,0|1,0,0]=4 953 B10R0.98 C[C@H](O)CNCC(F)C(=O)O f0ad6e6e83d6c5aab978131b077af281 [0,2,1,0,0,0|1,0,0]=4 954 B10R0.98 C[C@H](O)CNCC(O)C(=O)O 7a047cd5ec4baf7f6de900713314629e [0,2,1,0,0,0|1,0,0]=4 955 B10R0.98 C[C@H](O)CNC[C@@H](C)C(=O)O 8ec8b1345a93a6f55b3956e735ef036b [0,2,1,0,0,0|1,0,0]=4 956 B10R0.98 C[C@H](O)CNC[C@@H](O)C(=O)O e2a447f9ac284af5c6f9a681fd672cd3 [0,2,1,0,0,0|1,0,0]=4 957 B10R0.98 C[C@H](O)CNC[C@H](C)C(=O)O 1601ed825a0f4102fa593c3a00c35d45 [0,2,1,0,0,0|1,0,0]=4 958 B10R0.98 C[C@H](O)CNC[C@H](O)C(=O)O 923ea34d52ca0b2760f40232a2becbe7 [0,2,1,0,0,0|1,0,0]=4 959 B10R0.103 CCCC(C)(NCC)C(=O)O 24ced4f1c219c5b634e2a84640fad5de [0,2,1,0,0,0|0,0,0]=3 960 B10R0.103 CCCC(C)(NCF)C(=O)O fed7d77be6b4e58c3ee4ec310842dccb [0,2,1,0,0,0|0,0,0]=3 961 B10R0.103 CCCC(C)(NCO)C(=O)O 4f77fce9fbaaa2cd6b3630c87b468f86 [0,2,1,0,0,0|0,0,0]=3 962 B10R0.103 CCC[C@@](C)(NCC)C(=O)O 39674ba7d5b0b81b2d6a701cb96a3d1a [0,2,1,0,0,0|0,0,0]=3 963 B10R0.103 CCC[C@@](C)(NCF)C(=O)O a752deeb1b5183c004a72f2167f28173 [0,2,1,0,0,0|0,0,0]=3 964 B10R0.103 CCC[C@@](C)(NCO)C(=O)O 47696fd68ebef53e899dfe962308a5aa [0,2,1,0,0,0|0,0,0]=3 965 B10R0.103 CCC[C@](C)(NCC)C(=O)O 3b78987b8c243f1a63aa722c651d8150 [0,2,1,0,0,0|0,0,0]=3 966 B10R0.103 CCC[C@](C)(NCF)C(=O)O 1f0b05b7bafec99809fde4df126400d7 [0,2,1,0,0,0|0,0,0]=3 967 B10R0.103 CCC[C@](C)(NCO)C(=O)O 45df2b27c9b2d5144f8c0b7f163edd91 [0,2,1,0,0,0|0,0,0]=3 968 B10R1.23 CC(=O)N(C)C1CCCC1 37a3ae82d72cb34070af60e7d609e543 [1,1,0,0,0,1|1,0,0]=4 969 B10R1.27 C#CC(=O)NC1CCCC1 de9db58801a77dd87541b7b97e98096f [1,1,0,0,0,1|1,0,0]=4 970 B10R1.27 C=C(C=O)OC1CCCC1 aa71e1acb4595ccfa91bdf03ff01b1cc [1,1,0,0,0,1|1,0,0]=4 971 B10R1.27 C=CC(=O)NC1CCCC1 84416e68d7a2d3622f40e0d6fa2a4911 [1,1,0,0,0,1|1,0,0]=4 972 B10R1.27 CCC(=O)NC1CCCC1 ad0e329a839e42fb4e68b66bf7fc6efa [1,1,0,0,0,1|1,0,0]=4 973 B10R1.27 O=C(CF)NC1CCCC1 7def253a7d58d7abaf0b2c052c6b4bd2 [1,1,0,0,0,1|1,0,0]=4 974 B10R1.27 O=C(CO)NC1CCCC1 a2af8330b212ec9a8ca0312ee053bb08 [1,1,0,0,0,1|0,0,0]=3 975 B10R1.27 O=C(CO)NC1CCOC1 da3328a3326718ab84da48dbdce512b6 [1,1,0,0,0,1|1,0,0]=4 976 B10R1.27 O=C(CO)NC1CCSC1 434d62499df8000b95e4d641799beba3 [1,1,0,0,0,1|1,0,0]=4 977 B10R1.27 O=C(CO)N[C@@H]1CCOC1 3e1bdc77aa678067b9bc110730f6411f [1,1,0,0,0,1|1,0,0]=4 978 B10R1.27 O=C(CO)N[C@H]1CCOC1 0f500b702bc6a6a7c1ac309f8f75c5cb [1,1,0,0,0,1|1,0,0]=4 979 B10R1.27 O=C(CS)NC1CCCC1 e18c16444a3ea35ed584a201cdde414c [1,1,0,0,0,1|0,1,0]=4 980 B10R1.27 O=CC(=O)NC1CCCC1 5ff796fc3e93b42e9b485fd305c2093a [1,1,0,0,0,1|0,0,1]=4 981 B10R1.54 CC(=O)NC1CCC(C1)C 1662f3e59706b2e0b9c86006d2f191db [1,1,0,0,0,1|1,0,0]=4 982 B10R1.54 CC(=O)NC1CCC(C1)O 8df0ebcee037b9fdc688d44933d4c3db [1,1,0,0,0,1|1,0,0]=4 983 B10R1.54 CC(=O)N[C@@H]1CC[C@@H](C1)O bd5d5487a5426aee6c8b85f7d6a82f6d [1,1,0,0,0,1|1,0,0]=4 984 B10R1.54 CC(=O)N[C@@H]1CC[C@H](C1)O e9b3bd4a14f9308205f6e539850076b4 [1,1,0,0,0,1|1,0,0]=4 985 B10R1.54 CC(=O)N[C@H]1CC[C@@H](C1)O 9699b4c6ebe806fb645f613f502422f4 [1,1,0,0,0,1|1,0,0]=4 986 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O aee6acb4424af3e957060a2ce53ddcc8 [1,1,0,0,0,1|1,0,0]=4 987 B10R1.54 CC1CCN(C1)CC(=O)O b8d9f8f8dd4347c0af06b75515184c73 [1,1,0,0,0,1|1,0,0]=4 988 B10R1.54 O=C(O)CN1CCC(C1)F 8acb16772e9ca4b2fe51bb421d4b8cd1 [1,1,0,0,0,1|1,0,0]=4 989 B10R1.54 O=C(O)CN1CCC(C1)O ca37e06cd9b7bbc71af271599b998364 [1,1,0,0,0,1|1,0,0]=4 990 B10R1.54 O=C(O)CN1CC[C@@H](C1)F b63040360648721ff37994670a246244 [1,1,0,0,0,1|1,0,0]=4 991 B10R1.54 O=C(O)CN1CC[C@@H](C1)O 98ba8f6e2d76ff3f4a27413121dc0ae0 [1,1,0,0,0,1|1,0,0]=4 992 B10R1.54 O=C(O)CN1CC[C@H](C1)F 0119a3497e2de6992352b92152178c3f [1,1,0,0,0,1|1,0,0]=4 993 B10R1.54 O=C(O)CN1CC[C@H](C1)O 2f6697dc2fac174cd8c2c51863fd57de [1,1,0,0,0,1|1,0,0]=4 994 B10R1.64 CC(=O)NC1CCCC1O 59e0220d30c5d89a7bc774bdd7119d12 [1,1,0,0,0,1|1,0,0]=4 995 B10R1.64 CC(=O)N[C@@H]1CCC[C@@H]1O 8cb67225b4b66d60c05cf19cee1f81da [1,1,0,0,0,1|1,0,0]=4 996 B10R1.64 CC(=O)N[C@@H]1CCC[C@H]1O b09f4c2f2b9433d14ce51c1d506ae9e8 [1,1,0,0,0,1|1,0,0]=4 997 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O e6a6e3adb2cb556e3a04e433a4ca013c [1,1,0,0,0,1|1,0,0]=4 998 B10R1.64 CC(=O)N[C@H]1CCC[C@H]1O d54340e665e803c30264a16ad0e57d91 [1,1,0,0,0,1|1,0,0]=4 999 B10R1.64 CC1CCCN1CC(=O)O 71eb304a1d401775d27fc0753a674b0b [1,1,0,0,0,1|1,0,0]=4 1000 B10R1.64 C[C@@H]1CCCN1CC(=O)O 9b818000ca3132ec26b67b1ab81d55f9 [1,1,0,0,0,1|1,0,0]=4 1001 B10R1.64 C[C@H]1CCCN1CC(=O)O 64061d78ea2e51d3ac2a9c61feca08be [1,1,0,0,0,1|1,0,0]=4 1002 B10R1.64 O=C(O)CN1CCCC1O ec57a92bef094a920e205f26c4cd66bf [1,1,0,0,0,1|1,0,0]=4 1003 B10R1.377 CC1(CCCCC1)NC=O 6ae8a8b9f1f26131c7f30af4e9c95bc8 [1,1,0,0,0,1|1,0,0]=4 1004 B10R1.377 CC1(CCOCC1)NC=O 3fe473ec47ebb70e1ecc048a6f3391ca [1,1,0,0,0,1|1,0,0]=4 1005 B10R1.14 CC1CCN(C1)C(=O)CO 7aaa36349c5fd51854587f309c23a605 [1,2,0,0,0,0|1,0,0]=4 1006 B10R1.14 O=C(CO)N1CCC(C1)F ffcbd6066d8853204de6edc6323f6307 [1,2,0,0,0,0|1,0,0]=4 1007 B10R1.14 O=C(CO)N1CCC(C1)O 7f27d2b9c9bd94cb6fc116608dfac6a5 [1,2,0,0,0,0|1,0,0]=4 1008 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 35b233b69d1462d9dcee1f30b82f09e8 [1,2,0,0,0,0|1,0,0]=4 1009 B10R1.14 O=C(CO)N1CC[C@@H](C1)O 38e45102805154f04ea78a5b2158c290 [1,2,0,0,0,0|1,0,0]=4 1010 B10R1.14 O=C(CO)N1CC[C@H](C1)F bdcc80ecad014d72452a5a1dce51a1b3 [1,2,0,0,0,0|1,0,0]=4 1011 B10R1.14 O=C(CO)N1CC[C@H](C1)O 51267dc4440ffce046950541a0c315e4 [1,2,0,0,0,0|1,0,0]=4 1012 B10R1.149 CC1CCCN1C(=O)CO 3fc83f9dfd3319fc46c49bcb17d36319 [1,2,0,0,0,0|1,0,0]=4 1013 B10R1.149 C[C@@H]1CCCN1C(=O)CO dc4e2b62c41392defae704e10426acc2 [1,2,0,0,0,0|1,0,0]=4 1014 B10R1.149 C[C@H]1CCCN1C(=O)CO 67931ca57a2e88071d87b599f3b86e38 [1,2,0,0,0,0|1,0,0]=4 1015 B10R1.149 O=C(CO)N1CCCC1O cf815b3f2dfa22a1023ee08f30d00256 [1,2,0,0,0,0|1,0,0]=4 1016 B10R1.31 CCN1CCC(C1)C(=O)O c6ab06b42eb214fd7bf4d162e9cf09ca [1,2,0,0,0,0|1,0,0]=4 1017 B10R1.31 CCN1CC[C@@H](C1)C(=O)O f470b10a1439f229c4fd1d97ea38dce4 [1,2,0,0,0,0|1,0,0]=4 1018 B10R1.31 CCN1CC[C@H](C1)C(=O)O 6fcabbaec4e96b21d63b1d5e1ab6c74e [1,2,0,0,0,0|1,0,0]=4 1019 B10R1.31 O=C(O)C1CCN(C1)CF ca49f253d96e894c5c6ee2f9d13c4de5 [1,2,0,0,0,0|1,0,0]=4 1020 B10R1.31 O=C(O)C1CCN(C1)CO 9300646053b94cc353f09fdc9345497f [1,2,0,0,0,0|1,0,0]=4 1021 B10R1.31 O=C(O)[C@@H]1CCN(C1)CF 2f3d6ca490a773ab169d9af98e7ed460 [1,2,0,0,0,0|1,0,0]=4 1022 B10R1.31 O=C(O)[C@@H]1CCN(C1)CO bf06be6b9efe2069a6495bd2c9a12715 [1,2,0,0,0,0|1,0,0]=4 1023 B10R1.31 O=C(O)[C@H]1CCN(C1)CF 95efba9fbb33e72c433e3d9c27f2b450 [1,2,0,0,0,0|1,0,0]=4 1024 B10R1.31 O=C(O)[C@H]1CCN(C1)CO d23a4c9f680bddafc9f654313a160825 [1,2,0,0,0,0|1,0,0]=4 1025 B10R1.39 CCN1CCCC1C(=O)O c3983076958b8fb46558aab447120d49 [1,2,0,0,0,0|1,0,0]=4 1026 B10R1.39 CCN1CCC[C@@H]1C(=O)O 349d3c609c75982b622124f07b341c44 [1,2,0,0,0,0|1,0,0]=4 1027 B10R1.39 CCN1CCC[C@H]1C(=O)O cf8e675da710a8a6e34bef600c46b98f [1,2,0,0,0,0|1,0,0]=4 1028 B10R1.39 O=C(O)C1CCCN1CF 2df1b628c3ddddb71f4d9897e6b47849 [1,2,0,0,0,0|1,0,0]=4 1029 B10R1.39 O=C(O)C1CCCN1CO 7f02135e9c4c82c9ed8efa6b28dba1a4 [1,2,0,0,0,0|1,0,0]=4 1030 B10R1.39 O=C(O)[C@@H]1CCCN1CF a758da829a884a388b4dac859185ee61 [1,2,0,0,0,0|1,0,0]=4 1031 B10R1.39 O=C(O)[C@@H]1CCCN1CO ab593d24831e51749594a3241b86071f [1,2,0,0,0,0|1,0,0]=4 1032 B10R1.39 O=C(O)[C@H]1CCCN1CF b1270dfad6d1aac80c0fd1f1ac2f6f0d [1,2,0,0,0,0|1,0,0]=4 1033 B10R1.39 O=C(O)[C@H]1CCCN1CO cbdfa18e1cbf673fbc79c7d3904d4492 [1,2,0,0,0,0|1,0,0]=4 1034 B10R1.216 CC1(CCCC1)CNC=O bc8516a280de87fc6c65e14c56d78607 [1,2,0,0,0,0|1,0,0]=4 1035 B10R1.216 CC1(CCCC1)NCC=O 1779b4239bc2b64e212cd7bb282df0a9 [1,2,0,0,0,0|1,0,0]=4 1036 B10R1.216 O=CNCC1(CCCC1)F 262c56c72b5ee22f173a2bd93be2fd86 [1,2,0,0,0,0|1,0,0]=4 1037 B10R1.216 O=CNCC1(CCCC1)O 88ee71f3217ae83f30faeb83b09c31f6 [1,2,0,0,0,0|1,0,0]=4 1038 B10R1.529 CCNC1(CCCC1)CO 658e87d296186979bd99941ce6f45e65 [1,2,0,0,0,0|0,0,1]=4 1039 B10R1.529 O=CNC1(CCCC1)CO 087fff5fa3901e31a034a6850d4b1c4b [1,2,0,0,0,0|0,0,1]=4 1040 B10R1.529 OCC1(CCCC1)NCF 707fd52d3e83fd44bc87c4a007a14ef0 [1,2,0,0,0,0|0,0,1]=4 1041 B10R1.529 OCNC1(CCCC1)CO 6d84d250d04e0f98377ee72db0980328 [1,2,0,0,0,0|0,0,1]=4 1042 B10R1.381 CCNC1(CCC1)C(=O)N 773186e071cd6a24d96cfc9a6cc55454 [0,2,0,0,1,0|1,0,0]=4 1043 B10R1.381 CCNC1(CCC1)C(=O)O b0365cf85bbf5222626cb76523e7f9b1 [0,2,0,0,1,0|0,0,0]=3 1044 B10R1.381 CCNC1(COC1)C(=O)O 579d2bb6309c060440590de859e136b9 [0,2,0,0,1,0|1,0,0]=4 1045 B10R1.381 CCNC1(CSC1)C(=O)O 72d7365ee3ab3646e0937ca0b2932569 [0,2,0,0,1,0|1,0,0]=4 1046 B10R1.381 NC(=O)C1(CCC1)NC=O 40926cbb76c1c3899b805a75f785567b [0,2,0,0,1,0|1,0,0]=4 1047 B10R1.381 NC(=O)C1(CCC1)NCF ac6781ae4802b5cbf098455af2cd0955 [0,2,0,0,1,0|1,0,0]=4 1048 B10R1.381 NC(=O)C1(CCC1)NCO 25681a075b390613ab70f24cf7c9dab4 [0,2,0,0,1,0|1,0,0]=4 1049 B10R1.381 O=C(O)C1(CCC1)NCF aad1c348d1a6db6985810bb4856b1fa7 [0,2,0,0,1,0|0,0,0]=3 1050 B10R1.381 O=C(O)C1(CCC1)NCO 12291d427097b9a1037713fc898f2cc2 [0,2,0,0,1,0|0,0,0]=3 1051 B10R1.381 O=C(O)C1(COC1)NCO c0ab3f88e4bc56e4570259ba65970a3f [0,2,0,0,1,0|1,0,0]=4 1052 B10R1.381 O=C(O)C1(CSC1)NCF 67b9da0ac563b1eb317d237dfd6ee7f8 [0,2,0,0,1,0|1,0,0]=4 1053 B10R1.381 O=C(O)C1(CSC1)NCO cc793e18307a1d13e544e4d434624a26 [0,2,0,0,1,0|1,0,0]=4 1054 B12R1.1677 CC1(CCCC1)CNC(=O)CO 19bce96220c6e4f15bf18edb7c7bba5d [0,1,0,0,0,2|1,0,0]=4 1055 B12R1.1677 CC1(CCCC1)NCC(=O)CO 4b80f482b42b09f3db9cd9a7e324d994 [0,1,0,0,0,2|1,0,0]=4 1056 B12R1.1677 COC(=O)CNC1(CCCC1)C 6981c306439ea5f2d4de5646ba3f7161 [0,1,0,0,0,2|1,0,0]=4 1057 B12R1.1677 O=C(CO)NCC1(CCCC1)F a9a3a7e1d43b64d5fe35c222d7c0ac9d [0,1,0,0,0,2|1,0,0]=4 1058 B12R1.1677 O=C(CO)NCC1(CCCC1)O fe0f5b49ae7ea7c54047bb27110ae4f0 [0,1,0,0,0,2|1,0,0]=4 1059 B12R1.2212 CC(NC1(CCCC1)C)C(=O)O 56ef787afda6eb5346dcdf20b3db15ed [0,1,0,0,0,2|1,0,0]=4 1060 B12R1.2212 CC1(CCCC1)NC(F)C(=O)O 7812c80cecea70d67cfc48938880273f [0,1,0,0,0,2|1,0,0]=4 1061 B12R1.2212 CC1(CCCC1)N[C@@H](F)C(=O)O 7c2eb83edb2f1bd0090386aab6c4fff0 [0,1,0,0,0,2|1,0,0]=4 1062 B12R1.2212 C[C@@H](NC1(CCCC1)C)C(=O)O d091684f0afbba6a8913705ea657a383 [0,1,0,0,0,2|1,0,0]=4 1063 B12R1.2212 C[C@H](NC1(CCCC1)C)C(=O)O 5f5663ef7bdf0e913a622162686cd9bd [0,1,0,0,0,2|1,0,0]=4 1064 B12R1.3799 CC1(CCC(C1)O)NCC(=O)O cbe0dfa6611588c210feb2fe12ff3d96 [0,1,0,0,0,2|1,0,0]=4 1065 B12R1.3799 C[C@@]1(CC[C@@H](C1)O)NCC(=O)O 219066c66afed088e8034006caeb0368 [0,1,0,0,0,2|1,0,0]=4 1066 B12R1.3799 C[C@@]1(CC[C@H](C1)O)NCC(=O)O 9adc6dc2aaf5722397d719a834a19d3c [0,1,0,0,0,2|1,0,0]=4 1067 B12R1.3845 N#CC1(CCCC1)NCC(=O)O 41521b6cfd47fc2c072c989ecf763542 [0,1,0,0,0,2|0,0,1]=4 1068 B12R1.3845 O=C(O)CNC1(CCCC1)CO 71c382855c1439a5d29da53cbe6cade7 [0,1,0,0,0,2|1,0,0]=4 1069 B12R1.529 CC1(CCN(CC1)CF)C(=O)O 15b574f1f7a4db0f176b94788a08e202 [0,2,0,0,0,1|1,0,0]=4 1070 B12R1.529 CC1(CCN(CC1)CO)C(=O)O ae9f5e28778e99e47221d50ae996edf1 [0,2,0,0,0,1|1,0,0]=4 1071 B12R1.529 CCN1CCC(CC1)(C)C(=O)O ab10db62f56cb6e962242baacd223886 [0,2,0,0,0,1|1,0,0]=4 1072 B12R1.529 CCN1CCC(CC1)(F)C(=O)O e1333aba72b09e3e45f4916ce3afd896 [0,2,0,0,0,1|1,0,0]=4 1073 B12R1.529 CCN1CCC(CC1)(O)C(=O)O df4a70dc0b894c8481612b94ab6f2fc2 [0,2,0,0,0,1|1,0,0]=4 1074 B12R1.529 O=C(O)C1(CCN(CC1)CF)F e8c5be9155d5ca15d851aef786a880da [0,2,0,0,0,1|1,0,0]=4 1075 B12R1.529 O=C(O)C1(CCN(CC1)CF)O 1736dde78e5d1dc943ffcebac8eb9ec0 [0,2,0,0,0,1|1,0,0]=4 1076 B12R1.529 O=C(O)C1(CCN(CC1)CO)F 95dd71a7883f3acb1fcfbd7335febc08 [0,2,0,0,0,1|1,0,0]=4 1077 B12R1.529 O=C(O)C1(CCN(CC1)CO)O a4d3c2fb2d1fc257f9b2fa810f6c2a49 [0,2,0,0,0,1|1,0,0]=4 1078 B12R1.661 CC1(CCCCN1CF)C(=O)O 4f63ab6ccd99fec53f787c08cf7ebf5f [0,2,0,0,0,1|1,0,0]=4 1079 B12R1.661 CC1(CCCCN1CO)C(=O)O 5034ecc9536ca7a7f87d64d76dce74b6 [0,2,0,0,0,1|1,0,0]=4 1080 B12R1.661 CCN1CCCCC1(C)C(=O)O c07afd6d82891b9f60084078ea4a14b8 [0,2,0,0,0,1|1,0,0]=4 1081 B12R1.661 CCN1CCCC[C@@]1(C)C(=O)O 60be44ba007338be065c4fcc3ced61ee [0,2,0,0,0,1|1,0,0]=4 1082 B12R1.661 CCN1CCCC[C@]1(C)C(=O)O 9a51930f23b08565fbdb9a855c50cb1b [0,2,0,0,0,1|1,0,0]=4 1083 B12R1.661 C[C@@]1(CCCCN1CF)C(=O)O 55d749f9ffe1e66eb8ff458e82c58d58 [0,2,0,0,0,1|1,0,0]=4 1084 B12R1.661 C[C@@]1(CCCCN1CO)C(=O)O a14d7f9d2f32c98c5597b86a6eaca1cf [0,2,0,0,0,1|1,0,0]=4 1085 B12R1.661 C[C@]1(CCCCN1CF)C(=O)O d9519c1104332a1c08bbd12900aeb299 [0,2,0,0,0,1|1,0,0]=4 1086 B12R1.661 C[C@]1(CCCCN1CO)C(=O)O 704031b43e619e827143a02a04a59858 [0,2,0,0,0,1|1,0,0]=4 1087 B12R1.1960 CC1(CCCN(C1)CF)C(=O)O 59d37ae6c60aad9313a9d93ccde587c1 [0,2,0,0,0,1|1,0,0]=4 1088 B12R1.1960 CC1(CCCN(C1)CO)C(=O)O 399ea43ac1773d1988fd53f10975bb1b [0,2,0,0,0,1|1,0,0]=4 1089 B12R1.1960 CCN1CCCC(C1)(C)C(=O)O 78f820209cf234005760c47b2d0cd687 [0,2,0,0,0,1|1,0,0]=4 1090 B12R1.1960 CCN1CCC[C@@](C1)(C)C(=O)O 7c79ed28712edb1e761d1003b2cb27b7 [0,2,0,0,0,1|1,0,0]=4 1091 B12R1.1960 CCN1CCC[C@](C1)(C)C(=O)O dd869af0f585eed8f6bce9d68abfd0c8 [0,2,0,0,0,1|1,0,0]=4 1092 B12R1.1960 C[C@@]1(CCCN(C1)CF)C(=O)O 2e980b3991e6c46f1e80ff6a1b39ea72 [0,2,0,0,0,1|1,0,0]=4 1093 B12R1.1960 C[C@@]1(CCCN(C1)CO)C(=O)O 4bf660893ac4be3ada4964c1b92d3076 [0,2,0,0,0,1|1,0,0]=4 1094 B12R1.1960 C[C@]1(CCCN(C1)CF)C(=O)O 293f57df21dc1d316c1a4aa05ebdf50e [0,2,0,0,0,1|1,0,0]=4 1095 B12R1.1960 C[C@]1(CCCN(C1)CO)C(=O)O a052175b38e8df2d02df119e4ebab22d [0,2,0,0,0,1|1,0,0]=4 1096 B12R1.2627 CCNC1(CCCCC1)C(=O)N 28cc1776d0df69e8c04cb0d5df72aa5a [0,2,0,0,0,1|1,0,0]=4 1097 B12R1.2627 CCNC1(CCCCC1)C(=O)O fb6f79934e4e54f026d4552946c178b1 [0,2,0,0,0,1|0,0,0]=3 1098 B12R1.2627 CCNC1(CCOCC1)C(=O)N 2590b27978bd9728aa1dfd9d27fc617a [0,2,0,0,0,1|1,0,0]=4 1099 B12R1.2627 CCNC1(CCOCC1)C(=O)O 3a8bd1b05c40638de354cc94611bc8da [0,2,0,0,0,1|0,0,0]=3 1100 B12R1.2627 CCNC1(CCSCC1)C(=O)N 66b0010516539b61327765b5d6d5b075 [0,2,0,0,0,1|1,0,0]=4 1101 B12R1.2627 CCNC1(CCSCC1)C(=O)O f31aafb21e72dab50baabaa85305bdf1 [0,2,0,0,0,1|0,0,0]=3 1102 B12R1.2627 NC(=O)C1(CCCCC1)NC=O a7ae64e5446cb1772d005a2f5f13dad0 [0,2,0,0,0,1|1,0,0]=4 1103 B12R1.2627 NC(=O)C1(CCCCC1)NCF 130dfd3e40dea01e33a70d8a8cc165c6 [0,2,0,0,0,1|1,0,0]=4 1104 B12R1.2627 NC(=O)C1(CCCCC1)NCO e58405e22ea8d674a929bb640e47cb99 [0,2,0,0,0,1|1,0,0]=4 1105 B12R1.2627 NC(=O)C1(CCOCC1)NC=O f931139d5e023c2b21333fc352a41b27 [0,2,0,0,0,1|1,0,0]=4 1106 B12R1.2627 NC(=O)C1(CCOCC1)NCF 72c31181581064c0e191c836b5275f6e [0,2,0,0,0,1|1,0,0]=4 1107 B12R1.2627 NC(=O)C1(CCOCC1)NCO dc21d9d9935db898410f4cea518d7a7a [0,2,0,0,0,1|1,0,0]=4 1108 B12R1.2627 NC(=O)C1(CCSCC1)NCF 0f9f0c62c551f3326c16c435463ab36f [0,2,0,0,0,1|1,0,0]=4 1109 B12R1.2627 NC(=O)C1(CCSCC1)NCO ddb729dc2c33a79bb178d171367f59f4 [0,2,0,0,0,1|1,0,0]=4 1110 B12R1.2627 O=C(O)C1(CCCCC1)NCF 91bcdd8314d2567ec515df74d3b45c0b [0,2,0,0,0,1|0,0,0]=3 1111 B12R1.2627 O=C(O)C1(CCCCC1)NCO b1bac533ffc0532a1ef9b922a8b61a8c [0,2,0,0,0,1|0,0,0]=3 1112 B12R1.2627 O=C(O)C1(CCOCC1)NCF abf8433dfc9d51af8fd06d4c1c1c17f0 [0,2,0,0,0,1|0,0,0]=3 1113 B12R1.2627 O=C(O)C1(CCOCC1)NCO f1ec40ef1964ff3ba67e0bf79bfcf9fe [0,2,0,0,0,1|0,0,0]=3 1114 B12R1.2627 O=C(O)C1(CCSCC1)NCF 83cbfeca78fc57fa7dc8945a96ae4005 [0,2,0,0,0,1|0,0,0]=3 1115 B12R1.2627 O=C(O)C1(CCSCC1)NCO 2b918fd94cdee6f452e32c21a383f71a [0,2,0,0,0,1|0,0,0]=3 1116 B12R1.1618 CC1(CCCC1)NC(=O)CCO 084e94b79c649a6b2637a8948466b0f9 [0,2,0,0,0,1|1,0,0]=4 1117 B12R1.1618 CC1(CCCC1)NC(=O)CON a42bc1cf2852db7f917e9c10ecbb81e8 [0,2,0,0,0,1|1,0,0]=4 1118 B12R1.1618 COCC(=O)NC1(CCCC1)C d9ae014f91a6a8b7dcd4e3df7fa017ed [0,2,0,0,0,1|1,0,0]=4 1119 B12R1.2224 CC1(CCC(C1)O)NC(=O)CO 56e17bac860c13a3ae750bd504333dba [0,2,0,0,0,1|1,0,0]=4 1120 B12R1.2224 C[C@@]1(CC[C@@H](C1)O)NC(=O)CO cc1a2c253f027584d03530b808a1c0f2 [0,2,0,0,0,1|1,0,0]=4 1121 B12R1.2224 C[C@@]1(CC[C@H](C1)O)NC(=O)CO 655380f0b7be9853c5c523128f89fb7f [0,2,0,0,0,1|1,0,0]=4 1122 B12R1.3534 O=C(CO)NC1(CCCC1)CO 28e3a953159f7586fa43dab75d28b1af [0,2,0,0,0,1|1,0,0]=4 1123 B12R1.2612 O=C(O)CC1(CCOC1)NCO 08773a0df14b79fe4a24f5855e6494b9 [0,2,0,0,0,1|1,0,0]=4 1124 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 4ff37a7c057ce53e39bc26dda777649a [0,2,0,0,0,1|1,0,0]=4 1125 B12R1.2610 CCNC1(CCOC1)C(=O)OC 987e05827bca938dadf0cbef00314ae3 [0,3,0,0,0,0|1,0,0]=4 1126 B12R1.2610 COC(=O)C1(CCCC1)NCO a058c2752ad3813241eccf96e212ec07 [0,3,0,0,0,0|0,0,0]=3 1127 B12R1.2610 COC(=O)C1(CCOC1)NCF 32c33d6b07195c4a37f82dc6a078b396 [0,3,0,0,0,0|1,0,0]=4 1128 B12R1.2610 COC(=O)C1(CCOC1)NCO 9fb8cebd4964dcc9ff3e395dd02ac1ff [0,3,0,0,0,0|1,0,0]=4 1129 B12R1.3444 CCN(C)C1(CCCC1)C(=O)O 90ea76eee78e91ae962b1a4c7060fe62 [0,3,0,0,0,0|0,0,0]=3 1130 B12R1.3444 CN(CF)C1(CCCC1)C(=O)O f78fdffc91ffe629faeba902de0f611b [0,3,0,0,0,0|0,0,0]=3 1131 B12R1.3444 CN(CF)C1(CCOC1)C(=O)O af0a194aeae3e54f203b05ab9e63a873 [0,3,0,0,0,0|1,0,0]=4 1132 B12R1.3444 CN(CO)C1(CCCC1)C(=O)O 8f21ea40912cbaa294fa0f19c220da24 [0,3,0,0,0,0|0,0,0]=3 1133 B12R1.3444 CN(CO)C1(CCOC1)C(=O)O 0e4dcfbaf43b7ceb7a6974c9ba3b9583 [0,3,0,0,0,0|1,0,0]=4 1134 B12R1.1493 O=C(O)[C@@]1(CC[C@@H](C1)O)NCO a70554ff5a0d3f7e22f411740ff8992f [0,3,0,0,0,0|0,0,0]=3 1135 B12R1.1493 O=C(O)[C@@]1(CC[C@H](C1)O)NCO 73a7f8c358c3cfaead874c9f905bd2f9 [0,3,0,0,0,0|0,0,0]=3 1136 B12R1.1493 O=C(O)[C@]1(CC[C@@H](C1)O)NCO adc34e35f550ce61bdf23e604a2d1270 [0,3,0,0,0,0|0,0,0]=3 1137 B12R1.1493 O=C(O)[C@]1(CC[C@H](C1)O)NCO 3a9885b549c0e5ed34ce973bde24df37 [0,3,0,0,0,0|0,0,0]=3 1138 B12R1.2264 C#CCNC1(CCCC1)C(=O)N 82c48298e1f10d696002a40ae8cd3852 [0,3,0,0,0,0|1,0,0]=4 1139 B12R1.2264 C#CCNC1(CCCC1)C(=O)O 002b7d97958bc63ac9cb97915709877b [0,3,0,0,0,0|0,0,0]=3 1140 B12R1.2264 C#CCNC1(CCOC1)C(=O)O 2638085fab2a793c25a7efc16967f670 [0,3,0,0,0,0|1,0,0]=4 1141 B12R1.2264 C#CCNC1(CCSC1)C(=O)O 92e5ba5896b8f476b18203929ba003d3 [0,3,0,0,0,0|1,0,0]=4 1142 B12R1.2264 C#CCN[C@@]1(CCOC1)C(=O)O eaa9bb1dd839aba916847fd1703720c1 [0,3,0,0,0,0|1,0,0]=4 1143 B12R1.2264 C#CCN[C@]1(CCOC1)C(=O)O 59a4cf7b94385996bbb5f4781db60fc8 [0,3,0,0,0,0|1,0,0]=4 1144 B12R1.2264 C=CCNC1(CCCC1)C(=O)N 3ce3311f3e8d35cf6edebc76094994f3 [0,3,0,0,0,0|1,0,0]=4 1145 B12R1.2264 C=CCNC1(CCCC1)C(=O)O 9128192335f0ed1d50eb13e268d5dde1 [0,3,0,0,0,0|0,0,0]=3 1146 B12R1.2264 C=CCNC1(CCOC1)C(=O)O 46b6df9a03953e5f1720202b2e694712 [0,3,0,0,0,0|1,0,0]=4 1147 B12R1.2264 C=CCNC1(CCSC1)C(=O)O 3bb407e055052132d04f017ca279dc32 [0,3,0,0,0,0|1,0,0]=4 1148 B12R1.2264 C=CCN[C@@]1(CCOC1)C(=O)O f9afb9146a9fccc2411a99371a929477 [0,3,0,0,0,0|1,0,0]=4 1149 B12R1.2264 C=CCN[C@]1(CCOC1)C(=O)O d2a66e5e3125d544f185f329869028f1 [0,3,0,0,0,0|1,0,0]=4 1150 B12R1.2264 CCCNC1(CCCC1)C(=O)N daea46e4d7eab5071860b81b0c191e5c [0,3,0,0,0,0|1,0,0]=4 1151 B12R1.2264 CCCNC1(CCCC1)C(=O)O ad02a1ea94e2feb08bed276c43a00be5 [0,3,0,0,0,0|0,0,0]=3 1152 B12R1.2264 CCCNC1(CCOC1)C(=O)O 021cb40ce46a04510d51d7b61c702495 [0,3,0,0,0,0|1,0,0]=4 1153 B12R1.2264 CCCNC1(CCSC1)C(=O)O f56d2ffdad716be95f740ecc5835b13c [0,3,0,0,0,0|1,0,0]=4 1154 B12R1.2264 CCCN[C@@]1(CCOC1)C(=O)O a3b572f09207cc1fd063d89c5e3a3d32 [0,3,0,0,0,0|1,0,0]=4 1155 B12R1.2264 CCCN[C@]1(CCOC1)C(=O)O 5b813b4c30c45fda1a60d72d7a385b1e [0,3,0,0,0,0|1,0,0]=4 1156 B12R1.2264 CCOCC1(CCCC1)C(=O)O 267be1e932e811255646732c95f02ac8 [0,3,0,0,0,0|1,0,0]=4 1157 B12R1.2264 COCNC1(CCOC1)C(=O)O e7778a7651306fa68f38ec769f4072de [0,3,0,0,0,0|1,0,0]=4 1158 B12R1.2264 COCN[C@@]1(CCOC1)C(=O)O b663999ab21bc9b1170157278e857ee7 [0,3,0,0,0,0|1,0,0]=4 1159 B12R1.2264 COCN[C@]1(CCOC1)C(=O)O 96e01009cc10efd3263a7beeaed9d527 [0,3,0,0,0,0|1,0,0]=4 1160 B12R1.2264 CSCNC1(CCCC1)C(=O)N acd623363d421fca5b9feb39634f677f [0,3,0,0,0,0|1,0,0]=4 1161 B12R1.2264 CSCNC1(CCCC1)C(=O)O 4bc7d37e4a59d3ff1093efaa4687bd80 [0,3,0,0,0,0|0,0,0]=3 1162 B12R1.2264 CSCNC1(CCOC1)C(=O)O e7f5e0e426577e3db89ab279119b3280 [0,3,0,0,0,0|1,0,0]=4 1163 B12R1.2264 CSCNC1(CCSC1)C(=O)O 925d4065d640817c0b8b20f2de04f5a4 [0,3,0,0,0,0|1,0,0]=4 1164 B12R1.2264 CSCN[C@@]1(CCOC1)C(=O)O 6bd95bac9498cb54c9c4bf7a12cdccf7 [0,3,0,0,0,0|1,0,0]=4 1165 B12R1.2264 CSCN[C@]1(CCOC1)C(=O)O 9524b16a2e70adbb4af23adbb729119f [0,3,0,0,0,0|1,0,0]=4 1166 B12R1.2264 N#CCNC1(CCCC1)C(=O)N c1181a6964de5d2e81875787030d15c5 [0,3,0,0,0,0|1,0,0]=4 1167 B12R1.2264 N#CCNC1(CCCC1)C(=O)O 26dd3eef292e3bcceaebffbb73f81e88 [0,3,0,0,0,0|0,0,0]=3 1168 B12R1.2264 N#CCNC1(CCOC1)C(=O)O 025150755d874c423c8efee0bf99c57b [0,3,0,0,0,0|1,0,0]=4 1169 B12R1.2264 N#CCNC1(CCSC1)C(=O)O bab5aab7f95a33e1c9315f7ee8f83ba6 [0,3,0,0,0,0|1,0,0]=4 1170 B12R1.2264 N#CCN[C@@]1(CCOC1)C(=O)O 08a5f58620d2b6d4b41764185feeaf1f [0,3,0,0,0,0|1,0,0]=4 1171 B12R1.2264 N#CCN[C@]1(CCOC1)C(=O)O 40a45a0674934c1400fcd510bd181915 [0,3,0,0,0,0|1,0,0]=4 1172 B12R1.2264 NC(=O)C1(CCCC1)NCC=O 9c5b35968c17e02ee16586e05cf83590 [0,3,0,0,0,0|1,0,0]=4 1173 B12R1.2264 NC(=O)C1(CCCC1)NCCF c773364e1efee601137df885e28d443d [0,3,0,0,0,0|1,0,0]=4 1174 B12R1.2264 NC(=O)C1(CCCC1)NCCO c55ad0ebc45938365e0d4711fc637749 [0,3,0,0,0,0|1,0,0]=4 1175 B12R1.2264 NC(=O)C1(CCCC1)NCCS c8c9644f6b52ec7d64aa37cd8623e830 [0,3,0,0,0,0|1,0,0]=4 1176 B12R1.2264 O=C(O)C1(CCCC1)COCF 34d3a8c81ab54b452f3ef618979d1fae [0,3,0,0,0,0|1,0,0]=4 1177 B12R1.2264 O=C(O)C1(CCCC1)NCCF e11ef7bc05950557d3e0a8db5cb09a57 [0,3,0,0,0,0|0,0,0]=3 1178 B12R1.2264 O=C(O)C1(CCCC1)NCCO c833ed707f1c63ac32d1f1eb95af8bd5 [0,3,0,0,0,0|0,0,0]=3 1179 B12R1.2264 O=C(O)C1(CCCC1)NCCS 05291057ae1a861eda08a55e616ff712 [0,3,0,0,0,0|0,0,0]=3 1180 B12R1.2264 O=C(O)C1(CCOC1)NCCF f9149f5ccca15ea70d80c47cb7af946f [0,3,0,0,0,0|1,0,0]=4 1181 B12R1.2264 O=C(O)C1(CCOC1)NCCO 783514983ba70ae0038715bbee6efd2c [0,3,0,0,0,0|1,0,0]=4 1182 B12R1.2264 O=C(O)C1(CCOC1)NCCS 3cbbc68965d85e6f2484e5848286c45d [0,3,0,0,0,0|1,0,0]=4 1183 B12R1.2264 O=C(O)C1(CCSC1)NCCF a66f52a74fd5aa43f23bd0ed38abeccc [0,3,0,0,0,0|1,0,0]=4 1184 B12R1.2264 O=C(O)C1(CCSC1)NCCO 2269b2a1d45e6824b0faef0dc5e7e7ae [0,3,0,0,0,0|1,0,0]=4 1185 B12R1.2264 O=C(O)C1(CCSC1)NCCS 8f33709b6a3122ed792f70c4ca21fc4f [0,3,0,0,0,0|1,0,0]=4 1186 B12R1.2264 O=C(O)[C@@]1(CCOC1)NCCF 7cff06674188d2a1290bb6eb015bce85 [0,3,0,0,0,0|1,0,0]=4 1187 B12R1.2264 O=C(O)[C@@]1(CCOC1)NCCO 939b72a2adc8b3f6440ea0d2b30a967a [0,3,0,0,0,0|1,0,0]=4 1188 B12R1.2264 O=C(O)[C@@]1(CCOC1)NCCS 53ccc0dbc87b1d4320af8a841a880dad [0,3,0,0,0,0|1,0,0]=4 1189 B12R1.2264 O=C(O)[C@]1(CCOC1)NCCF 8b8d671bd542aad0c65eeb3a7c9eb28a [0,3,0,0,0,0|1,0,0]=4 1190 B12R1.2264 O=C(O)[C@]1(CCOC1)NCCO 0034df09fe09206ff08fc1b867925d37 [0,3,0,0,0,0|1,0,0]=4 1191 B12R1.2264 O=C(O)[C@]1(CCOC1)NCCS 7bfd1a8bac4f7af35619b58bb39357fb [0,3,0,0,0,0|1,0,0]=4 1192 B12R1.2264 O=CCNC1(CCCC1)C(=O)O 06b6869c7826859bca79b6eaa8e10a7e [0,3,0,0,0,0|0,0,0]=3 1193 B12R1.2264 O=CCNC1(CCOC1)C(=O)O 79fbad9ddbc845b0a64c06018596b9db [0,3,0,0,0,0|1,0,0]=4 1194 B12R1.2264 O=CCNC1(CCSC1)C(=O)O 7356093ce3ca4144854daa3b2310d1a1 [0,3,0,0,0,0|1,0,0]=4 1195 B12R1.2264 O=CCN[C@@]1(CCOC1)C(=O)O 1970474c38f53114ba1aac8b77dc2ad7 [0,3,0,0,0,0|1,0,0]=4 1196 B12R1.2264 O=CCN[C@]1(CCOC1)C(=O)O 912d11728c5ee0b22eaaa2a27ba8e754 [0,3,0,0,0,0|1,0,0]=4 1197 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [1,0,1,1,0,0|1,0,0]=4 1198 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [1,0,1,1,0,0|1,0,0]=4 1199 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [1,0,1,1,0,0|1,0,0]=4 1200 B10R1.190 CC(NC1CC1C)C(=O)O 8b4f0e0a8f7ae70dbbcc99f6aef543b3 [0,1,1,1,0,0|1,0,0]=4 1201 B10R1.190 CC1CC1NC(F)C(=O)O ff4cbff908c37159d6be79f1218cebf4 [0,1,1,1,0,0|1,0,0]=4 1202 B10R1.190 CC1CC1N[C@@H](C)C(=O)O 409bf9bc37337209da51a1949aaa558e [0,1,1,1,0,0|1,0,0]=4 1203 B10R1.190 CC1CC1N[C@@H](F)C(=O)O 8617f823894b72fbbc3b8d825cf75466 [0,1,1,1,0,0|1,0,0]=4 1204 B10R1.190 CC1CC1N[C@H](C)C(=O)O 3aaef09be3defde71c4f3d9db1bfa598 [0,1,1,1,0,0|1,0,0]=4 1205 B10R1.205 CC(CNC1CC1)C(=O)O f8c7a371082940c05add248ba86dd6a2 [0,1,1,1,0,0|1,0,0]=4 1206 B10R1.205 CC(COC1CC1)C(=O)O cb320b2cec7f77fb5002a5fca58dbe68 [0,1,1,1,0,0|1,0,0]=4 1207 B10R1.205 CC(NCC1CC1)C(=O)O 917021753707e1f213d8112c556507b0 [0,1,1,1,0,0|1,0,0]=4 1208 B10R1.205 CC(OCC1CC1)C(=O)O 06225dc2065772465a293fef13ee9846 [0,1,1,1,0,0|1,0,0]=4 1209 B10R1.205 C[C@@H](CNC1CC1)C(=O)O 80abdf8c030326b076e26c2d14fa58ca [0,1,1,1,0,0|1,0,0]=4 1210 B10R1.205 C[C@@H](COC1CC1)C(=O)O 7df0da5d3a504aa40bd4d740de31ab70 [0,1,1,1,0,0|1,0,0]=4 1211 B10R1.205 C[C@@H](NCC1CC1)C(=O)O b962dac5fc1ae9d36e403751184af886 [0,1,1,1,0,0|1,0,0]=4 1212 B10R1.205 C[C@@H](OCC1CC1)C(=O)O a5a91923008d7bc942402a6ad118cc95 [0,1,1,1,0,0|1,0,0]=4 1213 B10R1.205 C[C@H](CNC1CC1)C(=O)O 80fe88245faf9b153fd52c289744407e [0,1,1,1,0,0|1,0,0]=4 1214 B10R1.205 C[C@H](COC1CC1)C(=O)O e4dbec1ca2ea899d83870d081cfa5ce8 [0,1,1,1,0,0|1,0,0]=4 1215 B10R1.205 C[C@H](NCC1CC1)C(=O)O e5973f9f7a81cc6d0cf388975d87e7b8 [0,1,1,1,0,0|1,0,0]=4 1216 B10R1.205 C[C@H](OCC1CC1)C(=O)O e27e0399b1813e3a7e11cad88115458c [0,1,1,1,0,0|1,0,0]=4 1217 B10R1.205 O=C(O)C(F)CNC1CC1 52c1c877e74d96193edeb82b27575cf1 [0,1,1,1,0,0|1,0,0]=4 1218 B10R1.205 O=C(O)C(F)NCC1CC1 62a36983f0038882639bc9c302f2f1db [0,1,1,1,0,0|1,0,0]=4 1219 B10R1.205 O=C(O)C(O)CNC1CC1 c038e2452a7b42d2b8e1c9b184c9373c [0,1,1,1,0,0|1,0,0]=4 1220 B10R1.205 O=C(O)C(O)NCC1CC1 a08085845d2225d0b8c47c14341de172 [0,1,1,1,0,0|1,0,0]=4 1221 B10R1.205 O=C(O)[C@@H](O)CNC1CC1 824e64ded34ab20359e6367451ad6894 [0,1,1,1,0,0|1,0,0]=4 1222 B10R1.205 O=C(O)[C@H](F)NCC1CC1 61d05a3c93d36401a8b14f5be3fd89dc [0,1,1,1,0,0|1,0,0]=4 1223 B10R1.205 O=C(O)[C@H](O)CNC1CC1 4c820e1cd7e0cc21b215ae5fe6435e79 [0,1,1,1,0,0|1,0,0]=4 1224 B10R1.204 CC(CN1CCC1)C(=O)O 928630bc2de249d235fc019e7aa68e9a [0,1,1,1,0,0|1,0,0]=4 1225 B10R1.204 CC(NC1CCC1)C(=O)O bf9f16af652cea127c9132012a3ac36d [0,1,1,1,0,0|1,0,0]=4 1226 B10R1.204 CC(OC1CCC1)C(=O)O 662c9e0c0b78bcd25ad328a6f14f7744 [0,1,1,1,0,0|1,0,0]=4 1227 B10R1.204 C[C@@H](NC1CCC1)C(=O)O e2d5281e9814419f6832172ff1b7b379 [0,1,1,1,0,0|1,0,0]=4 1228 B10R1.204 C[C@@H](OC1CCC1)C(=O)O 9a5417fc7ed36d349494202bb6b7346d [0,1,1,1,0,0|1,0,0]=4 1229 B10R1.204 C[C@H](NC1CCC1)C(=O)O 37c11d2314ec3c268e95dad9833516c2 [0,1,1,1,0,0|1,0,0]=4 1230 B10R1.204 C[C@H](OC1CCC1)C(=O)O 60515a0225f5bec3a5d3fee3c693ede1 [0,1,1,1,0,0|1,0,0]=4 1231 B10R1.204 O=C(O)C(F)NC1CCC1 e9f1448abdf5bbebfdc6bae9d71d05d8 [0,1,1,1,0,0|1,0,0]=4 1232 B10R1.204 O=C(O)C(O)NC1CCC1 b106cebf3b5b02881d61ad75f5341464 [0,1,1,1,0,0|1,0,0]=4 1233 B10R1.204 O=C(O)[C@H](F)NC1CCC1 20a80109a26532f5607889d3af94faa0 [0,1,1,1,0,0|1,0,0]=4 1234 B10R1.37 CCCNCC1COC1=O 99ee514ca2ac33542134281e9e088097 [0,1,1,1,0,0|1,0,0]=4 1235 B10R1.37 CCCOCC1COC1=O 0e5edb7b715011b8da6e7e8dfcb86505 [0,1,1,1,0,0|1,0,0]=4 1236 B10R1.93 CCCN1CC(C1)C(=O)O 2e0f44757ecc5178985bfbb9789f5f23 [0,1,1,1,0,0|1,0,0]=4 1237 B10R1.93 CCNC1CC(C1)C(=O)O 9fce0667c974e56ba87e3761995994f2 [0,1,1,1,0,0|1,0,0]=4 1238 B10R1.93 CCN[C@H]1C[C@@H](C1)C(=O)O 41f7d6201c87af4fc4bc71f9a277dbc7 [0,1,1,1,0,0|1,0,0]=4 1239 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 30636da879ca1fccf49af0f9cd4affd8 [0,1,1,1,0,0|1,0,0]=4 1240 B10R1.93 CCOC1CC(C1)C(=O)O ed820ec4712b1cdfcd63b64a557759ee [0,1,1,1,0,0|1,0,0]=4 1241 B10R1.93 CCO[C@H]1C[C@@H](C1)C(=O)O bfd8fe9c1a845d0e6dff6bf2b96b0e0f [0,1,1,1,0,0|1,0,0]=4 1242 B10R1.93 CCO[C@H]1C[C@H](C1)C(=O)O 427e5391180241573405a3855d1b911b [0,1,1,1,0,0|1,0,0]=4 1243 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [2,0,0,0,1,0|1,0,0]=4 1244 B8R0.16 CCC(CC)NC(=O)C 4ed89f720f0f05324cf79f8a98baf869 [1,0,1,0,0,1|1,0,0]=4 1245 B8R0.16 CCN(CC)CC(=O)O 6fed7892c18c8ce9f89dfe191b146fca [1,0,1,0,0,1|1,0,0]=4 1246 B10R0.78 CCCCC(C)NCC(=O)O ca8ad46e018df2faa99dbf908bd443e1 [0,0,1,0,0,2|1,0,0]=4 1247 B10R0.78 CCCCC(C)OCC(=O)O a9747b2dc6b524106d5700f387a2a510 [0,0,1,0,0,2|1,0,0]=4 1248 B10R0.78 CCCC[C@@H](C)NCC(=O)O cdf353e5bc7239425db33062b64cab42 [0,0,1,0,0,2|1,0,0]=4 1249 B10R0.78 CCCC[C@@H](C)OCC(=O)O fcdde6a6446f16e594fd1de5903e1b1b [0,0,1,0,0,2|1,0,0]=4 1250 B10R0.78 CCCC[C@H](C)OCC(=O)O 7b88542caf2c6272fa28507597d32d4c [0,0,1,0,0,2|1,0,0]=4 1251 B10R0.121 CCC(C)(CC)NCC(=O)O e64e06a55f35466747352e8059e7f35d [0,0,1,0,0,2|1,0,0]=4 1252 B10R1.66 CC(=O)CNC1CCCC1 982a895596cb411344b5d5d1059736c0 [1,0,0,0,0,2|1,0,0]=4 1253 B10R1.66 CC(=O)COC1CCCC1 b4a4ed405f24170df2e680b9b91276af [1,0,0,0,0,2|1,0,0]=4 1254 B10R1.66 CC(=O)NCC1CCCC1 4b033df2d5e9c8dc815e6cf1e844965d [1,0,0,0,0,2|1,0,0]=4 1255 B10R1.66 NC(=O)CNC1CCCC1 9c36273e943c132bbefd74db949ab45f [1,0,0,0,0,2|1,0,0]=4 1256 B10R1.66 NC(=O)COC1CCCC1 d7b7d33efe873067a8b31f32069e40fe [1,0,0,0,0,2|1,0,0]=4 1257 B10R1.66 O=C(O)CNC1CCCC1 fb567dda9f1fcebaac0043a4fd3325ce [1,0,0,0,0,2|0,0,0]=3 1258 B10R1.66 O=C(O)CNC1CCOC1 4ccadd048e05caef0aa0224309a71ab9 [1,0,0,0,0,2|1,0,0]=4 1259 B10R1.66 O=C(O)CNC1CCSC1 cc711451681d5deb60a93f003c75abe6 [1,0,0,0,0,2|1,0,0]=4 1260 B10R1.66 O=C(O)CN[C@@H]1CCOC1 409924f0dc5c5a1e485257d0c382bb7d [1,0,0,0,0,2|1,0,0]=4 1261 B10R1.66 O=C(O)CN[C@H]1CCOC1 bb7abf04bc34989947c2e061f8225296 [1,0,0,0,0,2|1,0,0]=4 1262 B10R1.66 O=C(O)COC1CCCC1 5d3de03f73830ac26dc91c46fa3d4104 [1,0,0,0,0,2|0,0,0]=3 1263 B10R1.66 O=C(O)COC1CCCO1 9af41fcd5b2bf45f089ffbb228468f59 [1,0,0,0,0,2|1,0,0]=4 1264 B10R1.66 O=C(O)COC1CCOC1 c00a0816f6af3a6b09957548ac53c261 [1,0,0,0,0,2|1,0,0]=4 1265 B10R1.66 O=C(O)COC1CCSC1 caf5157f4ef4575a7421435e1146be8d [1,0,0,0,0,2|1,0,0]=4 1266 B10R1.66 O=C(O)CO[C@@H]1CCOC1 40244ec714f8851edd84a85a39a537dc [1,0,0,0,0,2|1,0,0]=4 1267 B10R1.66 O=C(O)CO[C@@H]1CCSC1 3f3ccc7956dc20f5c5ac4f02583eda03 [1,0,0,0,0,2|1,0,0]=4 1268 B10R1.66 O=C(O)CO[C@H]1CCOC1 c198688958ecea1c8118006934dbb8ea [1,0,0,0,0,2|1,0,0]=4 1269 B10R1.66 O=C(O)CO[C@H]1CCSC1 d5d79b4e4ea2912843ea0f8d16269f5b [1,0,0,0,0,2|1,0,0]=4 1270 B10R1.66 O=S(O)COC1CCCC1 08b1908d1b79fff78a0acfd6877e8468 [1,0,0,0,0,2|1,0,0]=4 1271 B10R1.353 CC1(CCC1)NCC(=O)O 42351981ce376252e2d8a5b33bc574a3 [0,0,0,0,1,2|1,0,0]=4 1272 B12R1.3110 CC1(CCCCC1)NCC(=O)O ba23cb527f4df979b38c4829a0641704 [0,0,0,0,0,3|1,0,0]=4 1273 B12R1.3110 CC1(CCOCC1)NCC(=O)O d121f59f5b4fd47c09f9e10578676c04 [0,0,0,0,0,3|1,0,0]=4 1274 B12R1.1809 CC1(CCCC1)CNCC(=O)O d94e9dd28586fd448d7ab0bbf666c0e9 [0,0,0,0,0,3|1,0,0]=4 1275 B12R1.1809 CC1(CCCC1)COCC(=O)O 5268929a754f1ef30463cace38e86615 [0,0,0,0,0,3|1,0,0]=4 1276 B12R1.1809 CC1(CCCC1)NCCC(=O)O add9cfc4c77058dc94b598fd774b9fcc [0,0,0,0,0,3|1,0,0]=4 1277 B12R1.1809 O=C(O)CNCC1(CCCC1)F 4c5138f27adb5dcaa54d26bd8541ed10 [0,0,0,0,0,3|1,0,0]=4 1278 B12R1.1809 O=C(O)CNCC1(CCCC1)O 5c7fa92076237faa9844d289a7ff499f [0,0,0,0,0,3|1,0,0]=4 1279 B12R1.1809 O=C(O)COCC1(CCCC1)F fc8482791d0f65a1d98ae8ee6c7f471f [0,0,0,0,0,3|1,0,0]=4