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