0 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [0,0,0,0,0,0|4,0,0]=4 1 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.11 CN(CO)C1CCCC1 0b5d16fc59af1f86a07861d7fe6de384 [0,1,0,0,0,0|3,0,0]=4 3 B9R1.11 O=C(CO)N1CCSC1 42095cf2ba0d7bb360a067bfcbd5ee52 [0,1,0,0,0,0|3,0,0]=4 4 B9R1.35 CC(=O)N1CCC(C1)C 62fae45163ab5fc8df8ad46633eee0ac [0,1,0,0,0,0|3,0,0]=4 5 B9R1.35 CC(=O)N1CCC(C1)F a6d7f64dfc4ae3923d1e882541a80fe0 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.35 CC(=O)N1CCC(C1)O d6f7e3e992ee3d9bc88f42beae2651f4 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1016d6a16006ef8ebfa1a324326808d5 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.35 CC(=O)N1CC[C@@H](C1)O eba103538f34c1984ba106a2ce04ce40 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.35 CC(=O)N1CC[C@H](C1)F 286010f93b872d924c1e32cdd70d17f3 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.35 CC(=O)N1CC[C@H](C1)O a7a4738d457ef17a95fd7f51dd477d8d [0,1,0,0,0,0|3,0,0]=4 11 B9R1.41 CC(=O)N1CCCC1C f3ed72e102a18b3ca7365fff10aeb6f8 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.41 CC(=O)N1CCCC1O b5790fb44bfcbecb21ad5fbf05ca9a35 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.41 CC(=O)N1CCC[C@@H]1C 45c9778b44581f9933633398df3c02d2 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.41 CC(=O)N1CCC[C@H]1C 77e41bde24aa3c51a340cfebe6f455b1 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,0,1,0,0,0|1,0,2]=4 16 B7R0.4 C#CCNCC(=O)N 192103ba8fad459d76fc07062abce874 [0,0,1,0,0,0|1,0,2]=4 17 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [0,0,1,0,0,0|0,0,2]=3 18 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,0,1,0,0,0|1,0,2]=4 19 B7R0.4 C=C(Br)CNCCBr a2af0ee62ca630ae997fcbeaeff3ecd2 [0,0,1,0,0,0|3,0,0]=4 20 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,0,1,0,0,0|2,0,0]=3 21 B7R0.4 C=C(Br)CNCCF bdffe3c671a0357e35ee82ddc2a4b0c6 [0,0,1,0,0,0|3,0,0]=4 22 B7R0.4 C=C(Br)CNCCI 4f584c60421c6beb30ceb5a392863e01 [0,0,1,0,0,0|3,0,0]=4 23 B7R0.4 C=C(Br)CNCCO 00225027954a340a3118d5c001a92b30 [0,0,1,0,0,0|3,0,0]=4 24 B7R0.4 C=C(Br)CNCCS dca08c6fd8d32a0e9dbeabff228c3836 [0,0,1,0,0,0|3,0,0]=4 25 B7R0.4 C=C(Br)CNCOC c5da0ade2f26605ee229f8e69e435818 [0,0,1,0,0,0|3,0,0]=4 26 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [0,0,1,0,0,0|3,0,0]=4 27 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,0,1,0,0,0|3,0,0]=4 28 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,0,1,0,0,0|3,0,0]=4 29 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,0,1,0,0,0|2,0,0]=3 30 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,0,1,0,0,0|3,0,0]=4 31 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,0,1,0,0,0|3,0,0]=4 33 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,0,1,0,0,0|3,0,0]=4 34 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,0,1,0,0,0|3,0,0]=4 36 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,0,1,0,0,0|3,0,0]=4 37 B7R0.4 C=C(Cl)CNCCBr 4c903b5932a03e4f5653cd57667fc373 [0,0,1,0,0,0|3,0,0]=4 38 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,0,1,0,0,0|2,0,0]=3 39 B7R0.4 C=C(Cl)CNCCF d37e8a2e77cb5d4ae23c734a326ed96f [0,0,1,0,0,0|3,0,0]=4 40 B7R0.4 C=C(Cl)CNCCI 9ea850a83a4ec71e5e79dc8899c3ed82 [0,0,1,0,0,0|3,0,0]=4 41 B7R0.4 C=C(Cl)CNCCO 6a611a7eb068d7dde6e67ecabe81bad2 [0,0,1,0,0,0|3,0,0]=4 42 B7R0.4 C=C(Cl)CNCCS c3d4b5e9deb92301fa96d0a10ab7e0a9 [0,0,1,0,0,0|3,0,0]=4 43 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,0,1,0,0,0|3,0,0]=4 44 B7R0.4 C=C(F)CNCCBr a95231baef5e5cc0c38c7177c04d4cb2 [0,0,1,0,0,0|3,0,0]=4 45 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,0,1,0,0,0|2,0,0]=3 46 B7R0.4 C=C(F)CNCCF 3c9599d455fab8f8b1b7798a035b518b [0,0,1,0,0,0|3,0,0]=4 47 B7R0.4 C=C(F)CNCCI 3acf03f3fc80bbf3bcc0b632080eb4d2 [0,0,1,0,0,0|3,0,0]=4 48 B7R0.4 C=C(F)CNCCO 9267c34bfc2d6383ea073c0636587814 [0,0,1,0,0,0|3,0,0]=4 49 B7R0.4 C=C(F)CNCCS 93ef00bb86767141facd92bc2b3d3770 [0,0,1,0,0,0|3,0,0]=4 50 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,0,1,0,0,0|3,0,0]=4 51 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,0,1,0,0,0|3,0,0]=4 52 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,0,1,0,0,0|1,0,2]=4 53 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [0,0,1,0,0,0|1,0,2]=4 54 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,0,1,0,0,0|0,0,2]=3 55 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,0,1,0,0,0|1,0,2]=4 56 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,0,1,0,0,0|3,0,0]=4 57 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,0,1,0,0,0|2,0,1]=4 58 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,0,1,0,0,0|2,0,1]=4 59 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,0,1,0,0,0|2,0,0]=3 60 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,0,1,0,0,0|2,0,0]=3 61 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,0,1,0,0,0|2,0,0]=3 62 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,0,1,0,0,0|3,0,0]=4 63 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,0,1,0,0,0|3,0,0]=4 64 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,0,1,0,0,0|3,0,0]=4 65 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,0,1,0,0,0|3,0,0]=4 67 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [0,0,1,0,0,0|2,0,1]=4 68 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [0,0,1,0,0,0|2,0,1]=4 69 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [0,0,1,0,0,0|2,0,1]=4 70 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [0,0,1,0,0,0|2,0,1]=4 71 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [0,0,1,0,0,0|2,0,1]=4 72 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,0,1,0,0,0|3,0,0]=4 73 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,0,1,0,0,0|1,0,0]=2 74 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,0,1,0,0,0|1,0,0]=2 75 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,0,1,0,0,0|0,0,0]=1 76 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,0,1,0,0,0|2,0,1]=4 77 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,0,1,0,0,0|1,0,1]=3 78 B7R0.4 CCCNCC(F)F 9022d4eca4bc1cbf6bdda2f9bb9ad264 [0,0,1,0,0,0|2,0,1]=4 79 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [0,0,1,0,0,0|3,0,0]=4 80 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,0,1,0,0,0|1,0,1]=3 81 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,0,1,0,0,0|1,0,1]=3 82 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,0,1,0,0,0|1,0,1]=3 83 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,0,1,0,0,0|2,0,0]=3 84 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,0,1,0,0,0|2,0,0]=3 85 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,0,1,0,0,0|1,0,0]=2 86 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,0,1,0,0,0|2,1,0]=4 87 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,0,1,0,0,0|2,0,0]=3 88 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,0,1,0,0,0|2,0,1]=4 89 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,0,1,0,0,0|3,0,0]=4 90 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,0,1,0,0,0|2,0,0]=3 91 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,0,1,0,0,0|3,0,0]=4 92 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,0,1,0,0,0|3,0,0]=4 93 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,0,1,0,0,0|3,0,0]=4 94 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,0,1,0,0,0|2,0,0]=3 95 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,0,1,0,0,0|2,0,0]=3 96 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,0,1,0,0,0|2,0,0]=3 97 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,0,1,0,0,0|1,0,0]=2 98 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,0,1,0,0,0|2,0,1]=4 99 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,0,1,0,0,0|2,0,1]=4 100 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,0,1,0,0,0|2,0,1]=4 101 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,0,1,0,0,0|3,0,0]=4 102 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,0,1,0,0,0|3,0,0]=4 103 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,0,1,0,0,0|2,0,0]=3 104 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,0,1,0,0,0|3,0,0]=4 105 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,0,1,0,0,0|2,0,0]=3 106 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,0,1,0,0,0|1,0,0]=2 108 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,0,1,0,0,0|2,0,1]=4 110 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,0,1,0,0,0|3,0,0]=4 112 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,0,1,0,0,0|3,0,0]=4 113 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,0,1,0,0,0|2,0,0]=3 114 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [0,0,1,0,0,0|2,0,1]=4 116 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [0,0,1,0,0,0|2,0,1]=4 117 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [0,0,1,0,0,0|2,0,1]=4 118 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [0,0,1,0,0,0|2,0,1]=4 119 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [0,0,1,0,0,0|2,0,1]=4 121 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [0,0,1,0,0,0|2,0,1]=4 122 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [0,0,1,0,0,0|2,0,1]=4 123 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [0,0,1,0,0,0|2,0,1]=4 124 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [0,0,1,0,0,0|2,0,1]=4 125 B7R0.4 N#CCNCC(=O)N 1b074661588ba0117e64361bcac47550 [0,0,1,0,0,0|2,0,1]=4 126 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [0,0,1,0,0,0|1,0,1]=3 127 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,0,1,0,0,0|1,0,2]=4 128 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [0,0,1,0,0,0|1,0,2]=4 129 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,0,1,0,0,0|3,0,0]=4 130 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,0,1,0,0,0|3,0,0]=4 131 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,0,1,0,0,0|3,0,0]=4 132 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [0,0,1,0,0,0|2,0,1]=4 133 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,0,1,0,0,0|2,0,0]=3 134 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,0,1,0,0,0|2,0,0]=3 135 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,0,1,0,0,0|2,0,0]=3 136 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,0,1,0,0,0|2,0,0]=3 137 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,0,1,0,0,0|2,0,0]=3 138 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,0,1,0,0,0|3,0,0]=4 139 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,0,1,0,0,0|3,0,0]=4 140 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,0,1,0,0,0|2,0,0]=3 141 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,0,1,0,0,0|2,0,0]=3 142 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,0,1,0,0,0|2,0,0]=3 143 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,0,1,0,0,0|1,0,0]=2 144 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,0,1,0,0,0|1,0,0]=2 145 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,0,1,0,0,0|1,0,0]=2 146 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,0,1,0,0,0|1,0,0]=2 147 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,0,1,0,0,0|1,0,0]=2 148 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,0,1,0,0,0|2,0,0]=3 149 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,0,1,0,0,0|2,0,0]=3 150 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,0,1,0,0,0|1,0,1]=3 151 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,0,1,0,0,0|2,0,1]=4 152 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [0,0,1,0,0,0|3,0,0]=4 153 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [0,0,1,0,0,0|3,0,0]=4 154 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [0,0,1,0,0,0|3,0,0]=4 155 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [0,0,1,0,0,0|3,0,0]=4 156 B7R0.4 O=[N+]([O-])CNCCBr 8d7dbc08ef9e7230477a17444ab7b5ae [0,0,1,0,0,0|2,0,1]=4 157 B7R0.4 O=[N+]([O-])CNCCF 477bcadb2f3c366321e1c6b2187a7835 [0,0,1,0,0,0|2,0,1]=4 158 B7R0.4 O=[N+]([O-])CNCCI 6776c7bda5b734558507b53f175be3fd [0,0,1,0,0,0|2,0,1]=4 159 B7R0.4 O=[N+]([O-])CNCCO 69325ec3c6bcdbf7a6cebb6b1eb9806b [0,0,1,0,0,0|2,0,1]=4 160 B7R0.4 O=[N+]([O-])CNCCS 295b59c1dfc9e00bdb8a8fce46a4d66a [0,0,1,0,0,0|2,0,1]=4 161 B7R0.5 CC(=O)C(C)NC#N e4d49c900f9d6cdb7977169c84d66254 [0,0,1,0,0,0|2,0,1]=4 162 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,0,1,0,0,0|3,0,0]=4 163 B7R0.5 CC(NC#N)C(=O)N ac65e4a211d66fd767be0e1f95765b62 [0,0,1,0,0,0|2,0,1]=4 164 B7R0.5 CC(NC#N)C(=O)O 392de9697c4a5dcddc67adbe8abaabb3 [0,0,1,0,0,0|1,0,1]=3 165 B7R0.5 CC(NC=O)C(=O)N 46e3df0da90011f803541e030709e2d3 [0,0,1,0,0,0|2,0,1]=4 166 B7R0.5 CC(NCF)C(=O)N f0a5cc6cd244223372790316f7e61f94 [0,0,1,0,0,0|2,0,0]=3 167 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [0,0,1,0,0,0|1,0,0]=2 168 B7R0.5 CC(NCO)C(=O)N f8080c17d94f9bd121a85d094899f029 [0,0,1,0,0,0|2,0,0]=3 169 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [0,0,1,0,0,0|1,0,0]=2 170 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [0,0,1,0,0,0|2,0,1]=4 171 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,0,1,0,0,0|2,0,1]=4 172 B7R0.5 CC(OCF)C(=O)N 6a877ba17ca7a0aa924ab8a787d3d31c [0,0,1,0,0,0|3,0,0]=4 173 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,0,1,0,0,0|2,0,0]=3 174 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,0,1,0,0,0|3,0,0]=4 175 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,0,1,0,0,0|1,0,0]=2 176 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,0,1,0,0,0|0,0,0]=1 177 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,0,1,0,0,0|2,0,1]=4 178 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,0,1,0,0,0|1,0,1]=3 179 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,0,1,0,0,0|1,0,0]=2 180 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,0,1,0,0,0|1,0,0]=2 181 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,0,1,0,0,0|0,0,0]=1 182 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,0,1,0,0,0|2,0,1]=4 183 B7R0.5 CCN[C@@H](C)C(F)F f76fde6ed819e493c6854180a8253124 [0,0,1,0,0,0|2,0,1]=4 184 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,0,1,0,0,0|1,0,0]=2 185 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,0,1,0,0,0|0,0,0]=1 186 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,0,1,0,0,0|2,0,1]=4 187 B7R0.5 CCN[C@H](C)C(F)F 9d31d6515dd78ca74d9458514fa1e8c8 [0,0,1,0,0,0|2,0,1]=4 188 B7R0.5 CCOC(C)C(=O)C 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C[C@@H](NCO)C(=O)N 40aeb7a188f95caf183e4558e0c9a7d0 [0,0,1,0,0,0|2,0,0]=3 201 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [0,0,1,0,0,0|1,0,0]=2 202 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,0,1,0,0,0|3,0,0]=4 203 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,0,1,0,0,0|2,0,0]=3 204 B7R0.5 C[C@H](NC#N)C(=O)N d3e535a73ffb5f5f8cce46f54c0d5583 [0,0,1,0,0,0|2,0,1]=4 205 B7R0.5 C[C@H](NC#N)C(=O)O 001f1128fc667ba9af909598a06ab98b [0,0,1,0,0,0|1,0,1]=3 206 B7R0.5 C[C@H](NC=O)C(=O)N 16bf5f670688c6b3e99af2484506540e [0,0,1,0,0,0|2,0,1]=4 207 B7R0.5 C[C@H](NCF)C(=O)N ec9ad2764694c43582e2759286389cce [0,0,1,0,0,0|2,0,0]=3 208 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [0,0,1,0,0,0|1,0,0]=2 209 B7R0.5 C[C@H](NCO)C(=O)N e220146cab979067711359ee78003370 [0,0,1,0,0,0|2,0,0]=3 210 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [0,0,1,0,0,0|1,0,0]=2 211 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,0,1,0,0,0|3,0,0]=4 212 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,0,1,0,0,0|2,0,0]=3 213 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [0,0,1,0,0,0|2,0,0]=3 214 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,0,1,0,0,0|2,0,0]=3 215 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,0,0,0,1,0|2,0,0]=3 216 B9R1.6 CC(=O)N1CCCOC1 736ab4cc5910e1cdbf1f270a5cd9760a [0,0,0,0,0,1|3,0,0]=4 217 B9R1.6 CC(=O)N1CCCSC1 1ff1106b7e69aa264320301adcb4387e [0,0,0,0,0,1|3,0,0]=4 218 B9R1.6 CC(=O)N1CCOCC1 b274306c5ecbdaabc7e8d85c11df9df8 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.6 CC(=O)N1CCSCC1 a2a73cc62f318cd0138a717f4c94c193 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.13 CC(=O)NC1CCCC1 a2d6bc9cfdeb39e26a278a42ee1d6324 [0,0,0,0,0,1|2,0,0]=3 221 B9R1.13 CC(=O)NC1CCOC1 c5177dfe9e6c084a2da585e140eb24a0 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.13 CC(=O)NC1CCSC1 730ac5b1a87c9b477c5040aed194c284 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.13 CC(=O)N[C@@H]1CCOC1 a0946b6158cd267ecce33909819f831a [0,0,0,0,0,1|3,0,0]=4 224 B9R1.13 CC(=O)N[C@H]1CCOC1 1f47913b87a63d932081a27afac44166 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.13 O=C(O)CN1CCSC1 3cee187b91b84407a74d8a64ddd2529a [0,0,0,0,0,1|3,0,0]=4 226 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,0,1,0,0,0|2,0,0]=4 227 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,0,1,0,0,0|2,0,0]=4 228 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,0,1,0,0,0|2,0,0]=4 229 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,0,1,0,0,0|2,0,0]=4 230 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,1,0,0,0|2,0,0]=4 231 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,1,0,0,0|2,0,0]=4 232 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,1,0,0,0|2,0,0]=4 233 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,1,0,0,0|2,0,0]=4 234 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,1,0,0,0|2,0,0]=4 235 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,1,0,0,0|1,0,0]=3 236 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,1,0,0,0|1,0,0]=3 237 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,1,0,0,0|1,0,0]=3 238 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,1,0,0,0|0,0,0]=2 239 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,0,1,0,0,0|1,0,1]=4 240 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,0,1,0,0,0|1,0,1]=4 241 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,0,1,0,0,0|1,0,1]=4 242 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,1,0,0,0|2,0,0]=4 243 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,1,0,0,0|2,0,0]=4 244 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,1,0,0,0|1,0,0]=3 245 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,1,0,0,0|2,0,0]=4 246 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,0,1,0,0,0|1,0,1]=4 247 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,0,1,0,0,0|2,0,0]=4 248 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,0,1,0,0,0|2,0,0]=4 249 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,0,1,0,0,0|1,0,0]=3 250 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,1,0,0,0|1,0,0]=3 251 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,1,0,0,0|2,0,0]=4 252 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [1,0,1,0,0,0|0,0,2]=4 253 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [1,0,1,0,0,0|1,0,1]=4 254 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [1,0,1,0,0,0|2,0,0]=4 255 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,1,0,0,0|1,0,0]=3 256 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [1,0,1,0,0,0|2,0,0]=4 257 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [1,0,1,0,0,0|2,0,0]=4 258 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,0,1,0,0,0|2,0,0]=4 259 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [1,0,1,0,0,0|2,0,0]=4 260 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,1,0,0,0|2,0,0]=4 261 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,1,0,0,0|2,0,0]=4 262 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [1,0,1,0,0,0|1,0,1]=4 263 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,0,1,0,0,0|0,0,0]=2 264 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,0,1,0,0,0|1,0,1]=4 265 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,1,0,0,0|1,0,1]=4 266 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,0,1,0,0,0|1,0,1]=4 267 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,0,1,0,0,0|1,0,1]=4 268 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,0,1,0,0,0|0,0,1]=3 269 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,0,1,0,0,0|0,1,1]=4 270 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,0,1,0,0,0|2,0,0]=4 271 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,0,1,0,0,0|2,0,0]=4 272 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,0,1,0,0,0|1,0,0]=3 273 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,1,0,0,0|2,0,0]=4 274 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [1,0,1,0,0,0|1,0,1]=4 275 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,0,1,0,0,0|2,0,0]=4 276 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [1,0,1,0,0,0|1,0,1]=4 277 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [1,0,1,0,0,0|1,0,1]=4 278 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [1,0,1,0,0,0|2,0,0]=4 279 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,0,1,0,0,0|2,0,0]=4 280 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,0,1,0,0,0|1,0,0]=3 281 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,0,1,0,0,0|1,0,0]=3 282 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,0,1,0,0,0|1,0,0]=3 283 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,0,1,0,0,0|1,0,0]=3 284 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,0,1,0,0,0|1,0,0]=3 285 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,0,1,0,0,0|2,0,0]=4 286 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,0,1,0,0,0|2,0,0]=4 287 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,0,1,0,0,0|2,0,0]=4 288 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,0,1,0,0,0|2,0,0]=4 289 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [1,0,1,0,0,0|1,0,1]=4 290 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [1,0,1,0,0,0|1,0,1]=4 291 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [1,0,1,0,0,0|1,0,1]=4 292 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [1,0,1,0,0,0|1,0,1]=4 293 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [1,0,1,0,0,0|1,0,1]=4 294 B6R0.1 C#CC(C)NCC 85cc62c068fe8347941753880600425b [1,0,1,0,0,0|1,0,1]=4 295 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [1,0,1,0,0,0|1,0,1]=4 296 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [1,0,1,0,0,0|1,0,1]=4 297 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [1,0,1,0,0,0|1,0,0]=3 298 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [1,0,1,0,0,0|2,0,0]=4 299 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [1,0,1,0,0,0|2,0,0]=4 300 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [1,0,1,0,0,0|2,0,0]=4 301 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [1,0,1,0,0,0|2,0,0]=4 302 B6R0.1 CC(C=O)NC#N 4334a96823d7b333d7c55841b70479fe [1,0,1,0,0,0|1,0,1]=4 303 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [1,0,1,0,0,0|2,0,0]=4 304 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [1,0,1,0,0,0|1,0,1]=4 305 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [1,0,1,0,0,0|1,0,1]=4 306 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,0,1,0,0,0|2,0,0]=4 307 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [1,0,1,0,0,0|1,0,1]=4 308 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,0,1,0,0,0|1,0,1]=4 309 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [1,0,1,0,0,0|0,0,1]=3 310 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,0,1,0,0,0|1,0,1]=4 311 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [1,0,1,0,0,0|0,0,1]=3 312 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,0,1,0,0,0|1,0,1]=4 313 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [1,0,1,0,0,0|0,0,1]=3 314 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [1,0,1,0,0,0|1,0,0]=3 315 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [1,0,1,0,0,0|1,0,1]=4 316 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [1,0,1,0,0,0|1,0,1]=4 317 B6R0.1 C[C@H](C=O)NC#N 561b679827239db41a575e4f622826ae [1,0,1,0,0,0|1,0,1]=4 318 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [1,0,1,0,0,0|1,0,1]=4 319 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [1,0,1,0,0,0|1,0,1]=4 320 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,0,1,0,0,0|2,0,0]=4 321 B8R0.5 C#CCN(C)CC(=O)O 9abb39fbf4cdcac02269d67e50e724b5 [0,1,1,0,0,0|0,0,2]=4 322 B8R0.5 C=C(Br)CN(C)CCC fb2b399db1881507b03f49296dad3a42 [0,1,1,0,0,0|2,0,0]=4 323 B8R0.5 C=C(C)CN(C)CCC 67a547626d9fe48bc4d555dd9d8ee25d [0,1,1,0,0,0|2,0,0]=4 324 B8R0.5 C=C(Cl)CN(C)CCC 40fce807c5ffbcb654536672bed9a3b8 [0,1,1,0,0,0|2,0,0]=4 325 B8R0.5 C=CCN(C)CC(=O)O 7ee8ca05079b6f72d0f00781a2b17cdf [0,1,1,0,0,0|0,0,2]=4 326 B8R0.5 CC(CC(=O)O)NCF 84d4be16e4ac304aaa68ed4d36823324 [0,1,1,0,0,0|2,0,0]=4 327 B8R0.5 CC(CC(=O)O)NCO 10996b09f91fab84edb45bd9880e2318 [0,1,1,0,0,0|2,0,0]=4 328 B8R0.5 CC(CC(=O)O)OCF 14e16352da0b978e8e37b50cbc803026 [0,1,1,0,0,0|2,0,0]=4 329 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,1,1,0,0,0|1,0,0]=3 330 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,1,1,0,0,0|0,0,0]=2 331 B8R0.5 CCCN(C)CC(C)O ba71d19aa94a205bc2a8e63dac164472 [0,1,1,0,0,0|1,0,1]=4 332 B8R0.5 CCCN(C)C[C@@H](C)O e21d8a4c9925e7ebdd999960638ddfd2 [0,1,1,0,0,0|1,0,1]=4 333 B8R0.5 CCCN(C)C[C@H](C)O 8866f4aefe80bbaf9ef0e79e608206ab [0,1,1,0,0,0|1,0,1]=4 334 B8R0.5 CCCN(C)C[N+](=O)[O-] 1da16b4d827595081bb5ff08735265aa [0,1,1,0,0,0|1,0,1]=4 335 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,1,1,0,0,0|2,0,0]=4 336 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,1,1,0,0,0|2,0,0]=4 337 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,1,1,0,0,0|2,0,0]=4 338 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,1,1,0,0,0|2,0,0]=4 339 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,1,1,0,0,0|2,0,0]=4 340 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,1,1,0,0,0|2,0,0]=4 341 B8R0.5 CN(CC#N)CC(=O)O bc896e10abdeff2aa8e14b2e3c6e86cb [0,1,1,0,0,0|1,0,1]=4 342 B8R0.5 CN(CC=O)CC(=O)O 4f16c2423e66def517d0d42510089596 [0,1,1,0,0,0|1,0,1]=4 343 B8R0.5 CN(CCF)CC(=O)N d26c9ff0c6aeb9650633740b8e8fbdd2 [0,1,1,0,0,0|2,0,0]=4 344 B8R0.5 CN(CCF)CC(=O)O 378a586b4ce9b0291e7e9d64e15c1748 [0,1,1,0,0,0|1,0,0]=3 345 B8R0.5 CN(CCO)CC(=O)N 0888a0a37efb8cd042350a61e8c75fb4 [0,1,1,0,0,0|2,0,0]=4 346 B8R0.5 CN(CCO)CC(=O)O e22eedcab85615a7cb9a01481995f5a1 [0,1,1,0,0,0|1,0,0]=3 347 B8R0.5 CN(CCS)CC(=O)N ac27f0a2a25a3457ae9c334515a984f5 [0,1,1,0,0,0|2,0,0]=4 348 B8R0.5 CN(CCS)CC(=O)O 20a126cdeaa5b2f572a540b4b00dcdb8 [0,1,1,0,0,0|1,0,0]=3 349 B8R0.5 COCN(C)CC(=O)N 883b5fd21ac0fa4c080e391aedf41537 [0,1,1,0,0,0|2,0,0]=4 350 B8R0.5 COCN(C)CC(=O)O 38182438be3a4fb938d35352c6bcaa17 [0,1,1,0,0,0|1,0,0]=3 351 B8R0.5 CSCN(C)CC(=O)N 95b0cce82a1be92513ca60f76f2c4e94 [0,1,1,0,0,0|2,0,0]=4 352 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,1,1,0,0,0|1,0,0]=3 353 B8R0.5 C[C@@H](CC(=O)O)NCF 7b4409b263377324cee992cead4d4496 [0,1,1,0,0,0|2,0,0]=4 354 B8R0.5 C[C@@H](CC(=O)O)NCO 6f9af837429cbf13d74a82abb33116db [0,1,1,0,0,0|2,0,0]=4 355 B8R0.5 C[C@@H](CC(=O)O)OCF 3a1dfbb8c5aec4e4079809a87b6b3981 [0,1,1,0,0,0|2,0,0]=4 356 B8R0.5 C[C@H](CC(=O)O)NCF 6a82f1327e74ba81c2a6e57eb4cb9aac [0,1,1,0,0,0|2,0,0]=4 357 B8R0.5 C[C@H](CC(=O)O)NCO 3ee6882c6b18b0aec7272fad595282f5 [0,1,1,0,0,0|2,0,0]=4 358 B8R0.5 C[C@H](CC(=O)O)OCF 913e08b306bc95c6771408b42aad5ed2 [0,1,1,0,0,0|2,0,0]=4 359 B8R0.6 C#CCNCC(=O)CO a3c792cf03c227602ef2fbb618cf5767 [0,1,1,0,0,0|0,0,2]=4 360 B8R0.6 C#CCNCC(=O)NO 88e8842cbeb38bffc7d949ea90d139a2 [0,1,1,0,0,0|0,0,2]=4 361 B8R0.6 C#CCNCC(=O)OC 45a330447218442f782052439de91cbb [0,1,1,0,0,0|0,0,2]=4 362 B8R0.6 C=C(C#N)CNCCC 6f0a9e6523e92673194892ef08de17fb [0,1,1,0,0,0|2,0,0]=4 363 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,1,1,0,0,0|2,0,0]=4 364 B8R0.6 C=C(CNCCBr)OC efbac263e7650d3962d08edf3ce114db [0,1,1,0,0,0|2,0,0]=4 365 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [0,1,1,0,0,0|1,0,0]=3 366 B8R0.6 C=C(CNCCF)OC 0e8256fb644c0f85910115699008ab8e [0,1,1,0,0,0|2,0,0]=4 367 B8R0.6 C=C(CNCCI)OC fcef31f506379ae7bbc30bf7d4c63099 [0,1,1,0,0,0|2,0,0]=4 368 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,1,1,0,0,0|2,0,0]=4 369 B8R0.6 C=C(CNCCS)OC ce06596f455c7bf3f5895fe9ae52a28f [0,1,1,0,0,0|2,0,0]=4 370 B8R0.6 C=C(CO)CNCCBr 1538cd8f5a19aefe9ac0222cecb7abd4 [0,1,1,0,0,0|2,0,0]=4 371 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,1,1,0,0,0|1,0,0]=3 372 B8R0.6 C=C(CO)CNCCF 3eb09a81d0db8d32f14af9b7972e103d [0,1,1,0,0,0|2,0,0]=4 373 B8R0.6 C=C(CO)CNCCI 796bcf6c376951ccd776953135c6e059 [0,1,1,0,0,0|2,0,0]=4 374 B8R0.6 C=C(CO)CNCCO 894d7668b7763d0cb8a4050ef9b33650 [0,1,1,0,0,0|2,0,0]=4 375 B8R0.6 C=C(CO)CNCCS dfc962103906ef519e3299dc9c138cef [0,1,1,0,0,0|2,0,0]=4 376 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,1,1,0,0,0|2,0,0]=4 377 B8R0.6 C=CC(O)CNCCC 250d400a4869db06d0ddc8aa5ab26738 [0,1,1,0,0,0|1,0,1]=4 378 B8R0.6 C=CCNCC(=O)NO 119d64e5ab4b2a8f8a1bbdfd4a7063e5 [0,1,1,0,0,0|0,0,2]=4 379 B8R0.6 C=CCNCC(=O)OC 149a449e2131ace3a8ad23121b53b8be [0,1,1,0,0,0|0,0,2]=4 380 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,1,1,0,0,0|2,0,0]=4 381 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,1,1,0,0,0|2,0,0]=4 382 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,1,1,0,0,0|2,0,0]=4 383 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,1,1,0,0,0|2,0,0]=4 384 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,1,1,0,0,0|2,0,0]=4 385 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,1,1,0,0,0|2,0,0]=4 386 B8R0.6 CCCNC/C(=C/Cl)/Cl f1f7c339e4b876083db2ade75f21e5c2 [0,1,1,0,0,0|2,0,0]=4 387 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,1,1,0,0,0|1,0,0]=3 388 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,1,1,0,0,0|0,0,0]=2 389 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,1,1,0,0,0|1,0,0]=3 390 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,1,1,0,0,0|0,0,0]=2 391 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,1,1,0,0,0|0,0,0]=2 392 B8R0.6 CCCNCC(C)CO bada9382d7478daf22189069037ac93e [0,1,1,0,0,0|1,0,1]=4 393 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,1,1,0,0,0|1,0,1]=4 394 B8R0.6 CCCNCC(F)CO 1fbd267406b42948814f2731c74a697d [0,1,1,0,0,0|1,0,1]=4 395 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,1,1,0,0,0|1,0,1]=4 396 B8R0.6 CCCNCC(O)CF 6b148f8c0ee064ed8d543b5039e523f2 [0,1,1,0,0,0|1,0,1]=4 397 B8R0.6 CCCNCC(O)CO ef4d49b8ea36802719349f3b133e1e99 [0,1,1,0,0,0|0,0,2]=4 398 B8R0.6 CCCNC[C@@H](C)CO e2e04f216e2cf7289ffbc090d47f4872 [0,1,1,0,0,0|1,0,1]=4 399 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,1,1,0,0,0|1,0,1]=4 400 B8R0.6 CCCNC[C@@H](F)CO 2e4db86e61d98ce82db032e44095de49 [0,1,1,0,0,0|1,0,1]=4 401 B8R0.6 CCCNC[C@@H](O)CO dafe9b91bd25493db5b4fd00556e2ba2 [0,1,1,0,0,0|0,0,2]=4 402 B8R0.6 CCCNC[C@H](C)CO defe9877a5fa0f3089777deffa950668 [0,1,1,0,0,0|1,0,1]=4 403 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,1,1,0,0,0|1,0,1]=4 404 B8R0.6 CCCNC[C@H](F)CO 3389b643e0aff855320122ad6471828f [0,1,1,0,0,0|1,0,1]=4 405 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,1,1,0,0,0|1,0,1]=4 406 B8R0.6 CCCNC[C@H](O)CO 96300a66a4a3502656d1a73cb7a7e894 [0,1,1,0,0,0|0,0,2]=4 407 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,1,1,0,0,0|2,0,0]=4 408 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,1,1,0,0,0|2,0,0]=4 409 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,1,1,0,0,0|1,0,0]=3 410 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,1,1,0,0,0|2,0,0]=4 411 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,1,1,0,0,0|2,0,0]=4 412 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,1,1,0,0,0|2,0,0]=4 413 B8R0.6 CNC(=O)CNCCBr 6c7bbb2b8e2277851a9c4b1ee98b855e [0,1,1,0,0,0|2,0,0]=4 414 B8R0.6 CNC(=O)CNCCF ad7e29831d5186eb0f908b77a11c392c [0,1,1,0,0,0|2,0,0]=4 415 B8R0.6 CNC(=O)CNCCI e2ceae3c2127a1926854bc9548bd60de [0,1,1,0,0,0|2,0,0]=4 416 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,1,1,0,0,0|2,0,0]=4 417 B8R0.6 CNC(=O)CNCCS 910fb23341c3da7d5e154bf7558a8aca [0,1,1,0,0,0|2,0,0]=4 418 B8R0.6 CNC(=O)CNCOC 8847ec992234bab2b496b10120a2af91 [0,1,1,0,0,0|2,0,0]=4 419 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,1,1,0,0,0|2,0,0]=4 420 B8R0.6 COC(=O)CCNCF c9ea88c8e4da792c48ff261f6679c953 [0,1,1,0,0,0|2,0,0]=4 421 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,1,1,0,0,0|2,0,0]=4 422 B8R0.6 COC(=O)CCOCF 2f015a84e5a71939cec0c0c38276031f [0,1,1,0,0,0|2,0,0]=4 423 B8R0.6 COC(=O)CNCC#N e54efd0e7cdfa4eb3c060e8dafdb53cb [0,1,1,0,0,0|1,0,1]=4 424 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [0,1,1,0,0,0|1,0,1]=4 425 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [0,1,1,0,0,0|1,0,0]=3 426 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [0,1,1,0,0,0|1,0,0]=3 427 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [0,1,1,0,0,0|1,0,0]=3 428 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,1,1,0,0,0|1,0,0]=3 429 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [0,1,1,0,0,0|1,0,0]=3 430 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,1,1,0,0,0|1,0,0]=3 431 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,1,1,0,0,0|2,0,0]=4 432 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,1,1,0,0,0|2,0,0]=4 433 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,1,1,0,0,0|2,0,0]=4 434 B8R0.6 COCNCC(=O)NO 6370b599efa65c671e4aeafd65f9dc2d [0,1,1,0,0,0|1,0,0]=3 435 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [0,1,1,0,0,0|1,0,0]=3 436 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,1,1,0,0,0|2,0,0]=4 437 B8R0.6 CSCNCC(=O)NO 9162eae199ecb4fcb04238ef65fba3a9 [0,1,1,0,0,0|1,0,0]=3 438 B8R0.6 N#CCNCC(=O)CO 5e8f28f2fb25f63df04e6bffce39c5fd [0,1,1,0,0,0|1,0,1]=4 439 B8R0.6 N#CCNCC(=O)NO 72cb15057f3de220b547eab3e774e0ce [0,1,1,0,0,0|1,0,1]=4 440 B8R0.6 NOCCNC(=O)CO d33eb512bcee6c5a14c6336e1dded456 [0,1,1,0,0,0|2,0,0]=4 441 B8R0.6 O=C(CCNCF)NO aaad06265f693e1393c4e11198291b97 [0,1,1,0,0,0|2,0,0]=4 442 B8R0.6 O=C(CCNCO)NO a2ec66bacb8f2a5bbd11eb6132728c80 [0,1,1,0,0,0|2,0,0]=4 443 B8R0.6 O=C(CNCCF)NO 4ede23953c58be1266bfab49008bd398 [0,1,1,0,0,0|1,0,0]=3 444 B8R0.6 O=C(CNCCO)NO 9399a3f3247500214a3724c003b791f0 [0,1,1,0,0,0|1,0,0]=3 445 B8R0.6 O=C(CNCCS)NO 6bd3c1ae8f710265188a27a831a6425d [0,1,1,0,0,0|1,0,0]=3 446 B8R0.6 O=C(CO)CNCCBr 4b4dd4df91e92b925ca40ac918c073a9 [0,1,1,0,0,0|1,0,0]=3 447 B8R0.6 O=C(CO)CNCCF 9f05edaf4811ba7f9ac498eb6a37ffc4 [0,1,1,0,0,0|1,0,0]=3 448 B8R0.6 O=C(CO)CNCCI fad7dbe7caa4eb2201e5d92c6c999ddf [0,1,1,0,0,0|1,0,0]=3 449 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,1,1,0,0,0|1,0,0]=3 450 B8R0.6 O=C(CO)CNCCS 0b181a826e47050c4e6ba69a8d17fa11 [0,1,1,0,0,0|1,0,0]=3 451 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,1,1,0,0,0|2,0,0]=4 452 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,1,1,0,0,0|2,0,0]=4 453 B8R0.6 O=CCNCC(=O)NO e1b7011d11f3d9485584b87c7adb5be5 [0,1,1,0,0,0|1,0,1]=4 454 B8R0.7 C#CCCNCC(=O)C c4cc756a51afb7be13a15a9a08fcff4c [0,1,1,0,0,0|1,0,1]=4 455 B8R0.7 C#CCCNCC(=O)N 1f3003baf97abd2324b063149dfdad50 [0,1,1,0,0,0|1,0,1]=4 456 B8R0.7 C#CCCNCC(=O)O a62cfb736e7f82a3494237514cacf08e [0,1,1,0,0,0|0,0,1]=3 457 B8R0.7 C#CCCOCC(=O)O 7b766f5b88fb0ecd599c5abf9efbeabf [0,1,1,0,0,0|1,0,1]=4 458 B8R0.7 C#CCNCCC(=O)O 6efd5e85084acab9c542105691239e32 [0,1,1,0,0,0|0,0,2]=4 459 B8R0.7 C#CCOCCC(=O)O 4db8817d78a49abe243c505f5b6fbd25 [0,1,1,0,0,0|1,0,1]=4 460 B8R0.7 C/C=C/CNCC(=O)C d08365ea544d9b1f5f738627bd1655a4 [0,1,1,0,0,0|1,0,1]=4 461 B8R0.7 C/C=C/CNCC(=O)N 35bccb5c6f26f8bea4b235e26562bb8f [0,1,1,0,0,0|1,0,1]=4 462 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [0,1,1,0,0,0|0,0,1]=3 463 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,1,1,0,0,0|1,0,1]=4 464 B8R0.7 C/C=C\CNCC(=O)C 6a6c9d418c0891c2fa3bf4c597c04764 [0,1,1,0,0,0|1,0,1]=4 465 B8R0.7 C/C=C\CNCC(=O)N 986aed96850afbf455a00521096423c9 [0,1,1,0,0,0|1,0,1]=4 466 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [0,1,1,0,0,0|0,0,1]=3 467 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,1,1,0,0,0|1,0,1]=4 468 B8R0.7 C=C(Br)CNCCCC 7c9c44e81bf00a83350435698bbd8321 [0,1,1,0,0,0|2,0,0]=4 469 B8R0.7 C=C(Br)CNCCCCl 5d2b43e8986d544e367241db5e9268ac [0,1,1,0,0,0|2,0,0]=4 470 B8R0.7 C=C(Br)CNCCCF 51ab428a414cc4c9404ed8a51a5a7737 [0,1,1,0,0,0|2,0,0]=4 471 B8R0.7 C=C(Br)CNCCCO 9593077d2863d607f3d2693354ee7a70 [0,1,1,0,0,0|2,0,0]=4 472 B8R0.7 C=C(Br)CNCCCS b0b9d90e638f2808750705a6c9ac139a [0,1,1,0,0,0|2,0,0]=4 473 B8R0.7 C=C(Br)CNCCOC 2f37d09dfbde25a8329e0bab5cba9d06 [0,1,1,0,0,0|2,0,0]=4 474 B8R0.7 C=C(Br)CNCCSC 5b1a1ae0f5347cb228c1a769729a44d5 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.7 C=C(Br)CNCOCC dba29b361cca4942dba533d01e62fe36 [0,1,1,0,0,0|2,0,0]=4 476 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,1,1,0,0,0|2,0,0]=4 477 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [0,1,1,0,0,0|2,0,0]=4 478 B8R0.7 C=C(C)CNCCCCl 846c99a3b9539c7d1bf408b5c7720df3 [0,1,1,0,0,0|2,0,0]=4 479 B8R0.7 C=C(C)CNCCCF beb220b1f62c61215fe4088c375ae748 [0,1,1,0,0,0|2,0,0]=4 480 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,1,1,0,0,0|2,0,0]=4 481 B8R0.7 C=C(C)CNCCCS 0a6e65af8417b99414a8ba398cfdd355 [0,1,1,0,0,0|2,0,0]=4 482 B8R0.7 C=C(C)CNCCOC 9d11af89280f819077ad9c1b1c3e595f [0,1,1,0,0,0|2,0,0]=4 483 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [0,1,1,0,0,0|2,0,0]=4 484 B8R0.7 C=C(C)CNCOCC 5232fb2ea1283f6a12b07e7e1960cc36 [0,1,1,0,0,0|2,0,0]=4 485 B8R0.7 C=C(Cl)CNCCCC 8cde48ce042cc357f299abd3d75de5f6 [0,1,1,0,0,0|2,0,0]=4 486 B8R0.7 C=C(Cl)CNCCCCl ebbec9e24712b23eb0ae6771f8e7becf [0,1,1,0,0,0|2,0,0]=4 487 B8R0.7 C=C(Cl)CNCCCO 3beb85068c88a196e26a5ca82d7fe904 [0,1,1,0,0,0|2,0,0]=4 488 B8R0.7 C=C(Cl)CNCCOC d2b942d0401395267b6bea2fb57d8d54 [0,1,1,0,0,0|2,0,0]=4 489 B8R0.7 C=C(Cl)CNCCSC 510ed02e52d250f4e3877597d05cc565 [0,1,1,0,0,0|2,0,0]=4 490 B8R0.7 C=C(F)CNCCCC d50f3d468cf2542e6029912d15cd6fb8 [0,1,1,0,0,0|2,0,0]=4 491 B8R0.7 C=C(F)CNCCCCl 8d59dce5957364b9e5381ffb12e4c05a [0,1,1,0,0,0|2,0,0]=4 492 B8R0.7 C=C(F)CNCCCO 72f99c7c070c8ad65be7786b4c8e1816 [0,1,1,0,0,0|2,0,0]=4 493 B8R0.7 C=C(F)CNCCOC dae00dbc2d8543adc1568efb181171e9 [0,1,1,0,0,0|2,0,0]=4 494 B8R0.7 C=C(F)CNCCSC d0c31b69c02ec918e82a738748803c26 [0,1,1,0,0,0|2,0,0]=4 495 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [0,1,1,0,0,0|1,0,1]=4 496 B8R0.7 C=CCCNCC(=O)N 1e9728afee7c9095106ef553572029e3 [0,1,1,0,0,0|1,0,1]=4 497 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [0,1,1,0,0,0|0,0,1]=3 498 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [0,1,1,0,0,0|1,0,1]=4 499 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [0,1,1,0,0,0|0,0,2]=4 500 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [0,1,1,0,0,0|1,0,1]=4 501 B8R0.7 CC#CCNCC(=O)N 98e7dd49acfde0590b88c5c43e6a2d4e [0,1,1,0,0,0|1,0,1]=4 502 B8R0.7 CC#CCNCC(=O)O 839a83969460cb5276f0ce2f33e20420 [0,1,1,0,0,0|0,0,1]=3 503 B8R0.7 CC#CCOCC(=O)O fcec6ff15e4ba99fb579eff8ab750539 [0,1,1,0,0,0|1,0,1]=4 504 B8R0.7 CC(=O)CCCOCF c94204172541830dae5131095b16871b [0,1,1,0,0,0|2,0,0]=4 505 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,1,1,0,0,0|2,0,0]=4 506 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,1,1,0,0,0|2,0,0]=4 507 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,1,1,0,0,0|2,0,0]=4 508 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,1,1,0,0,0|2,0,0]=4 509 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,1,1,0,0,0|2,0,0]=4 510 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,1,1,0,0,0|2,0,0]=4 511 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,1,1,0,0,0|2,0,0]=4 512 B8R0.7 CC(=O)CNCCC#N cee37c97fe16e1f2f71518cd3f26d1c6 [0,1,1,0,0,0|1,0,1]=4 513 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [0,1,1,0,0,0|1,0,1]=4 514 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,1,1,0,0,0|1,0,0]=3 515 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,1,1,0,0,0|1,0,0]=3 516 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,1,1,0,0,0|1,0,0]=3 517 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,1,1,0,0,0|2,0,0]=4 518 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,1,1,0,0,0|2,0,0]=4 519 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [0,1,1,0,0,0|2,0,0]=4 520 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,1,1,0,0,0|2,0,0]=4 521 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [0,1,1,0,0,0|2,0,0]=4 522 B8R0.7 CC(=O)OCNCCBr 174298ba317d3d2bde96945db1ddc7ca [0,1,1,0,0,0|2,0,0]=4 523 B8R0.7 CC(=O)OCNCCF 63fb375855a825e0738d855f91fad5fd [0,1,1,0,0,0|2,0,0]=4 524 B8R0.7 CC(=O)OCNCCI dbce8e98f599d4912e85f711777f148f [0,1,1,0,0,0|2,0,0]=4 525 B8R0.7 CC(=O)OCNCCO 02ed0f7075f3856f82fcf4a6039e490a [0,1,1,0,0,0|2,0,0]=4 526 B8R0.7 CC(=O)OCNCCS 754743a28ff18a32145801e587e13f07 [0,1,1,0,0,0|2,0,0]=4 527 B8R0.7 CC(O)CNCCCCl 333628270b035381d7a3131b7004001c [0,1,1,0,0,0|1,0,1]=4 528 B8R0.7 CC(O)CNCCCF 753f028cfacbeb87aa0832e03394d242 [0,1,1,0,0,0|1,0,1]=4 529 B8R0.7 CC(O)CNCCCO fe4cf1fbd21f9c78c984e34870d2398d [0,1,1,0,0,0|1,0,1]=4 530 B8R0.7 CC(O)CNCCCS 7a3702a079c3bcade1b24a337aa57ea3 [0,1,1,0,0,0|1,0,1]=4 531 B8R0.7 CC=CCNCC(=O)N 7efd7732ed8821f9c7210004bad86f98 [0,1,1,0,0,0|1,0,1]=4 532 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [0,1,1,0,0,0|0,0,1]=3 533 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,1,1,0,0,0|1,0,1]=4 534 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,1,1,0,0,0|2,0,0]=4 535 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,1,1,0,0,0|1,0,0]=3 536 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,1,1,0,0,0|1,0,0]=3 537 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,1,1,0,0,0|0,0,0]=2 538 B8R0.7 CCCCNCC(C)O 931ffaa97d207c9fb7ebac0ec881f8e7 [0,1,1,0,0,0|1,0,1]=4 539 B8R0.7 CCCCNC[C@@H](C)O 4edb0f48a9a733f4509d2f3b0321ae53 [0,1,1,0,0,0|1,0,1]=4 540 B8R0.7 CCCCNC[C@H](C)O 57de7703f075876997013fb957b70c80 [0,1,1,0,0,0|1,0,1]=4 541 B8R0.7 CCCCNC[N+](=O)[O-] b37a4d591c4d5c287e1ebe6ace96f684 [0,1,1,0,0,0|1,0,1]=4 542 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,1,1,0,0,0|2,0,0]=4 543 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,1,1,0,0,0|2,0,0]=4 544 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,1,1,0,0,0|1,0,0]=3 545 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [0,1,1,0,0,0|2,0,0]=4 546 B8R0.7 CCCNC/C=C(/C)\I a77ce06125d9c73831e62376d6be0fc0 [0,1,1,0,0,0|2,0,0]=4 547 B8R0.7 CCCNC/C=C(\C)/Cl 126e03eaad5b55a6a1e28418959632f2 [0,1,1,0,0,0|2,0,0]=4 548 B8R0.7 CCCNCC=C(C)C 029a389e0c61ae0bd25944f993ae298b [0,1,1,0,0,0|2,0,0]=4 549 B8R0.7 CCCNCC=C(C)Cl efaac4fe73efd3293fd70f693c290d56 [0,1,1,0,0,0|2,0,0]=4 550 B8R0.7 CCCNCC=C(C)I a5752b317cc0800d3b92ad72ab74de8f [0,1,1,0,0,0|2,0,0]=4 551 B8R0.7 CCCNCC=C(Cl)Cl a28bbaeb77f480d6b1b0308eb964a955 [0,1,1,0,0,0|2,0,0]=4 552 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,1,1,0,0,0|1,0,0]=3 553 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,1,1,0,0,0|1,0,0]=3 554 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,1,1,0,0,0|0,0,0]=2 555 B8R0.7 CCCNCCC(=S)N 9bd19729128b21bf5f6ba43475b023e4 [0,1,1,0,0,0|1,1,0]=4 556 B8R0.7 CCCNCCC(C)O ccdd4aef6b342b7b92e15346bf177ff3 [0,1,1,0,0,0|1,0,1]=4 557 B8R0.7 CCCNCCS(=O)C 8907fe98197a1b6e79d094b2d7a6d4a5 [0,1,1,0,0,0|2,0,0]=4 558 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,1,1,0,0,0|1,0,0]=3 559 B8R0.7 CCCNCC[C@@H](C)O 96ed78371080616609e6a19f4bc6ef50 [0,1,1,0,0,0|1,0,1]=4 560 B8R0.7 CCCNCC[C@H](C)O e223e4268330f6aea945d3b98613cfef [0,1,1,0,0,0|1,0,1]=4 561 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [0,1,1,0,0,0|1,0,0]=3 562 B8R0.7 CCCNCSC(=O)N 21ecf184b2a8dc86141aa6b38ac15f2d [0,1,1,0,0,0|1,0,0]=3 563 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,1,1,0,0,0|2,0,0]=4 564 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,1,1,0,0,0|2,0,0]=4 565 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,1,1,0,0,0|1,0,0]=3 566 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [0,1,1,0,0,0|2,0,0]=4 567 B8R0.7 CCCOCNC(=O)N 0c3353a650f6a23c649d3b49f74f0755 [0,1,1,0,0,0|2,0,0]=4 568 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [0,1,1,0,0,0|2,0,0]=4 569 B8R0.7 CCCOCSC(=O)N a8d0da169e47db6ff5658c749b630f62 [0,1,1,0,0,0|2,0,0]=4 570 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [0,1,1,0,0,0|1,0,1]=4 571 B8R0.7 CCNCC#CC(=O)O 451eb2c163912cae12c5d5f7dc6a6856 [0,1,1,0,0,0|1,0,1]=4 572 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [0,1,1,0,0,0|1,0,1]=4 573 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [0,1,1,0,0,0|2,0,0]=4 574 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,1,1,0,0,0|1,0,0]=3 575 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [0,1,1,0,0,0|1,0,1]=4 576 B8R0.7 CCOCC#CC(=O)O c98c8c0a09bdc73b6fd1ff1e3aa38396 [0,1,1,0,0,0|1,0,1]=4 577 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [0,1,1,0,0,0|1,0,1]=4 578 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [0,1,1,0,0,0|2,0,0]=4 579 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [0,1,1,0,0,0|2,0,0]=4 580 B8R0.7 CCOCNCC(=O)C 534404aa2bb4eb60a9a5f4f7d068a4cd [0,1,1,0,0,0|1,0,0]=3 581 B8R0.7 CCOCNCC(=O)N 8c5834421c71bace2ac17791d8413420 [0,1,1,0,0,0|1,0,0]=3 582 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,1,1,0,0,0|0,0,0]=2 583 B8R0.7 CCOCNCC(C)O 24ccfaa7e75872cf26d496230fd15b21 [0,1,1,0,0,0|1,0,1]=4 584 B8R0.7 CCOCNC[C@@H](C)O 75d9d187f353289c2c2a7694580ab35a [0,1,1,0,0,0|1,0,1]=4 585 B8R0.7 CCOCNC[C@H](C)O 09d1233b9ac8e82ae19ef34daace6a79 [0,1,1,0,0,0|1,0,1]=4 586 B8R0.7 CCOCOCC(=O)C e044734fa15c25bee2b20056cca4f1a8 [0,1,1,0,0,0|2,0,0]=4 587 B8R0.7 CCOCOCC(=O)N 4677b548e92ecffae954122455550d38 [0,1,1,0,0,0|2,0,0]=4 588 B8R0.7 CCOCOCS(=O)O f0f6516ce26ef8345e6a1b5134db53f6 [0,1,1,0,0,0|2,0,0]=4 589 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,1,1,0,0,0|1,0,0]=3 590 B8R0.7 COCCNCC(=O)N 137fcc310030132af81430a136880512 [0,1,1,0,0,0|1,0,0]=3 591 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,1,1,0,0,0|0,0,0]=2 592 B8R0.7 COCCNCC(C)O a6f4728eeff32ec4fcbf8e57ed616698 [0,1,1,0,0,0|1,0,1]=4 593 B8R0.7 COCCNC[C@@H](C)O 4beb59a86c8864c163dcbb580623ab5e [0,1,1,0,0,0|1,0,1]=4 594 B8R0.7 COCCNC[C@H](C)O a9c8878bb2cf027926f7305b99434175 [0,1,1,0,0,0|1,0,1]=4 595 B8R0.7 COCCNC[N+](=O)[O-] 6c9c36a0e0856616a148c80934d0b31f [0,1,1,0,0,0|1,0,1]=4 596 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,1,1,0,0,0|2,0,0]=4 597 B8R0.7 COCCOCC(=O)N 52e3a5cb41b7881a4ace23e25a8bc04a [0,1,1,0,0,0|2,0,0]=4 598 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,1,1,0,0,0|1,0,0]=3 599 B8R0.7 COCCOCS(=O)O 9425fd968f35d546d46a8c1e3b670b55 [0,1,1,0,0,0|2,0,0]=4 600 B8R0.7 COCNCCC(=O)N 75a34d6a21e65f0fa9c3ab03a203332a [0,1,1,0,0,0|2,0,0]=4 601 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,1,1,0,0,0|1,0,0]=3 602 B8R0.7 COCNCCS(=O)O 9b0f09c32fdad7545dd3373c6db4845f [0,1,1,0,0,0|2,0,0]=4 603 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [0,1,1,0,0,0|2,0,0]=4 604 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,1,1,0,0,0|1,0,0]=3 605 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,1,1,0,0,0|1,0,0]=3 606 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,1,1,0,0,0|0,0,0]=2 607 B8R0.7 CSCCNCC(C)O 684b1705ba2238f55a9db5f4eaf48d67 [0,1,1,0,0,0|1,0,1]=4 608 B8R0.7 CSCCNC[C@@H](C)O bc0fd1dc506166a7fd0edef563d937ce [0,1,1,0,0,0|1,0,1]=4 609 B8R0.7 CSCCNC[C@H](C)O db068fc33901ed1895a5d7d51bc4242d [0,1,1,0,0,0|1,0,1]=4 610 B8R0.7 CSCCNC[N+](=O)[O-] 4e94b2e61054a620ea96c1c59120e88c [0,1,1,0,0,0|1,0,1]=4 611 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,1,1,0,0,0|2,0,0]=4 612 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,1,1,0,0,0|2,0,0]=4 613 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,1,1,0,0,0|1,0,0]=3 614 B8R0.7 CSCCOCS(=O)O 15541620354d70e96c81747abb1141b3 [0,1,1,0,0,0|2,0,0]=4 615 B8R0.7 CSCNCCC(=O)N 2c9d140685046003cf9f9ad555d9359d [0,1,1,0,0,0|2,0,0]=4 616 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,1,1,0,0,0|1,0,0]=3 617 B8R0.7 CSCNCCS(=O)O 14787ffddc12e16cb93df9154674fbee [0,1,1,0,0,0|2,0,0]=4 618 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [0,1,1,0,0,0|2,0,0]=4 619 B8R0.7 C[C@@H](O)CNCCCCl 5a9543c00533d909465726506f8ef18f [0,1,1,0,0,0|1,0,1]=4 620 B8R0.7 C[C@@H](O)CNCCCF 643e67d7d3a28d1a865b989008a91394 [0,1,1,0,0,0|1,0,1]=4 621 B8R0.7 C[C@@H](O)CNCCCO e8d0c49be9e4f764b9eb8137611b6561 [0,1,1,0,0,0|1,0,1]=4 622 B8R0.7 C[C@@H](O)CNCCCS b776364a0a5c11e40b8ce2ccd6634a83 [0,1,1,0,0,0|1,0,1]=4 623 B8R0.7 C[C@H](O)CNCCCCl f7dfc1410f499a1afe59ca2b5ed2048f [0,1,1,0,0,0|1,0,1]=4 624 B8R0.7 C[C@H](O)CNCCCF 8bc48768a95eefd9754dfea6d5065444 [0,1,1,0,0,0|1,0,1]=4 625 B8R0.7 C[C@H](O)CNCCCO 0f92a48ea3b315178512a9aaa009df0a [0,1,1,0,0,0|1,0,1]=4 626 B8R0.7 C[C@H](O)CNCCCS e48e13187eb89118c3ba8c6bedda190f [0,1,1,0,0,0|1,0,1]=4 627 B8R0.7 N#CCCNCC(=O)N 22baa5d30b3fc28c227dca0f335531a0 [0,1,1,0,0,0|1,0,1]=4 628 B8R0.7 N#CCCNCC(=O)O 7bfcf1dd2660ba45e086fc214d0fdf1b [0,1,1,0,0,0|0,0,1]=3 629 B8R0.7 N#CCCOCC(=O)O 913a62d3473039da7a70e24bab5e1d23 [0,1,1,0,0,0|0,0,2]=4 630 B8R0.7 N#CCNCCC(=O)O 26556793ee589201382d4a045c687d03 [0,1,1,0,0,0|0,0,2]=4 631 B8R0.7 N#CCOCCC(=O)O 5682b245006f80100a85fc7fd38aef94 [0,1,1,0,0,0|0,0,2]=4 632 B8R0.7 NC(=O)CCCNCF 69e545c202cd7c9a6342c69c6e6a5f59 [0,1,1,0,0,0|2,0,0]=4 633 B8R0.7 NC(=O)CCCNCO f70a60c235672d89293f900a8d9cefa7 [0,1,1,0,0,0|2,0,0]=4 634 B8R0.7 NC(=O)CCCOCF 15f9a4387dce16382a2e493f0dda5b13 [0,1,1,0,0,0|2,0,0]=4 635 B8R0.7 NC(=O)CCNCCBr ef24ce00bd552b4c7b9798b47e83c534 [0,1,1,0,0,0|2,0,0]=4 636 B8R0.7 NC(=O)CCNCCF 6b59759188d6118acfcc7c61e6ea8d88 [0,1,1,0,0,0|2,0,0]=4 637 B8R0.7 NC(=O)CCNCCI 3bfe0d669e39520f94e74660ecea4a46 [0,1,1,0,0,0|2,0,0]=4 638 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,1,1,0,0,0|2,0,0]=4 639 B8R0.7 NC(=O)CCNCCS c12ed7aa66bfc39da304ecb7c8d6cdd6 [0,1,1,0,0,0|2,0,0]=4 640 B8R0.7 NC(=O)CCOCCF 21f605ef26e643b6ae8cba650c7f6b82 [0,1,1,0,0,0|2,0,0]=4 641 B8R0.7 NC(=O)CCOCCS 2a5607f5a17aca280aa8d0bbb5f8e88b [0,1,1,0,0,0|2,0,0]=4 642 B8R0.7 NC(=O)CNCCC=O 388d425389a4b244bea589395eabcddd [0,1,1,0,0,0|1,0,1]=4 643 B8R0.7 NC(=O)CNCCCCl 1db53d8b6e8ec0b45f5ac5aea65a66af [0,1,1,0,0,0|1,0,0]=3 644 B8R0.7 NC(=O)CNCCCF b8df96f83ebeea4472e3f0cf574d5c10 [0,1,1,0,0,0|1,0,0]=3 645 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,1,1,0,0,0|1,0,0]=3 646 B8R0.7 NC(=O)CNCCCS 0cd1ecba18cd09d4875eb7edc039e565 [0,1,1,0,0,0|1,0,0]=3 647 B8R0.7 NC(=O)COCCCF 4c181403b43bd0150828aba20f5caec7 [0,1,1,0,0,0|2,0,0]=4 648 B8R0.7 NC(=O)COCCCS 4ccafd8c8a1e89284daea9397b358185 [0,1,1,0,0,0|2,0,0]=4 649 B8R0.7 NC(=O)SCNCCBr a18bbb3388dfdcfd1f6f509fd5fbda0b [0,1,1,0,0,0|2,0,0]=4 650 B8R0.7 NC(=O)SCNCCF 4a29eb06061c53fde2f8ddeddc4ba291 [0,1,1,0,0,0|2,0,0]=4 651 B8R0.7 NC(=O)SCNCCI cb063e4fec88bd89544691f69806660f [0,1,1,0,0,0|2,0,0]=4 652 B8R0.7 NC(=O)SCNCCO 1bbc095343c94ca3982d1ab4934c107c [0,1,1,0,0,0|2,0,0]=4 653 B8R0.7 NC(=O)SCNCCS 0b0215353189fed4528d74a89e9c9b1e [0,1,1,0,0,0|2,0,0]=4 654 B8R0.7 NOCCNCC(=O)N 992a9e03e4089afbd7c51b6a0a2fa2b4 [0,1,1,0,0,0|2,0,0]=4 655 B8R0.7 NOCCNCC(=O)O 567becea339978b1d5a450bf35e41e83 [0,1,1,0,0,0|1,0,0]=3 656 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [0,1,1,0,0,0|1,0,0]=3 657 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [0,1,1,0,0,0|1,0,0]=3 658 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [0,1,1,0,0,0|1,0,0]=3 659 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [0,1,1,0,0,0|1,0,0]=3 660 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [0,1,1,0,0,0|1,0,0]=3 661 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,1,1,0,0,0|1,0,0]=3 662 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [0,1,1,0,0,0|1,0,0]=3 663 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,1,1,0,0,0|1,0,0]=3 664 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,1,1,0,0,0|1,0,0]=3 665 B8R0.7 O=C(O)CNC/C=C/Cl a02c0fde949bfab42ff175ce598a29df [0,1,1,0,0,0|0,0,2]=4 666 B8R0.7 O=C(O)CNC/C=C\Cl daa8db9a6890a10062e4294c482e15c4 [0,1,1,0,0,0|0,0,2]=4 667 B8R0.7 O=C(O)CNC/C=C\O fcaf4aee7217c0e4fd5dd5a9fcf238f8 [0,1,1,0,0,0|0,0,2]=4 668 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,1,1,0,0,0|0,0,0]=2 669 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,1,1,0,0,0|0,0,0]=2 670 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,1,1,0,0,0|0,0,0]=2 671 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,1,1,0,0,0|0,0,0]=2 672 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [0,1,1,0,0,0|1,0,0]=3 673 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [0,1,1,0,0,0|1,0,0]=3 674 B8R0.7 O=CCCNCC(=O)O bf4ced9bc1bbfa03663a8c8af093471d [0,1,1,0,0,0|0,0,1]=3 675 B8R0.7 O=CCCOCC(=O)O ef6505414c853b0dfbd12bbe62edb448 [0,1,1,0,0,0|1,0,1]=4 676 B8R0.7 O=CCNCCC(=O)O 2746d5d7d8507565af45509ba7bc6f1c [0,1,1,0,0,0|1,0,1]=4 677 B8R0.7 O=CCOCCC(=O)O de14f86217b2e4a0f4d6c6c831b08e2c [0,1,1,0,0,0|1,0,1]=4 678 B8R0.7 O=S(O)CCNCCF 6ae83f604fb3678c54ffa14683ab0e36 [0,1,1,0,0,0|2,0,0]=4 679 B8R0.7 O=S(O)CCNCCO 7974b1bc97ad54f4d29705e06d65fa2c [0,1,1,0,0,0|2,0,0]=4 680 B8R0.7 O=S(O)CCNCCS 55afdc590ce640566907268f0a80beef [0,1,1,0,0,0|2,0,0]=4 681 B8R0.7 O=S(O)COCCCF 30d2ec6240fb1c16499271a4f6492117 [0,1,1,0,0,0|2,0,0]=4 682 B8R0.7 O=S(O)COCCCS beb0163d74ad014150e5e05594464f98 [0,1,1,0,0,0|2,0,0]=4 683 B8R0.7 O=[N+]([O-])CNCCCCl 692aac1f08b20bf41b0f84d279396fad [0,1,1,0,0,0|1,0,1]=4 684 B8R0.7 O=[N+]([O-])CNCCCO 699823c2bacae1528b933bc0154f67ed [0,1,1,0,0,0|1,0,1]=4 685 B8R0.8 C#CCNC(C)C(=O)O 4b99b7020e460036fc14906401430936 [0,1,1,0,0,0|0,0,2]=4 686 B8R0.8 C#CCNC(O)C(=O)O c2f87445089f25c4b184d132413f8006 [0,1,1,0,0,0|0,0,2]=4 687 B8R0.8 C#CCN[C@@H](C)C(=O)O 10bbfb92e2c549f58f291f130d16578f [0,1,1,0,0,0|0,0,2]=4 688 B8R0.8 C#CCN[C@H](C)C(=O)O c45ede9d1e43611c768a8090380c1868 [0,1,1,0,0,0|0,0,2]=4 689 B8R0.8 C=CCNC(C)C(=O)O 4027c27acb0fdf3aaf8b355f1a408423 [0,1,1,0,0,0|0,0,2]=4 690 B8R0.8 C=CCNC(O)C(=O)O 0ecf31d72e8de05d5ba28c50354b10f9 [0,1,1,0,0,0|0,0,2]=4 691 B8R0.8 C=CCN[C@@H](C)C(=O)O a2a3215161cedaeb69cecc40398800bc [0,1,1,0,0,0|0,0,2]=4 692 B8R0.8 C=CCN[C@H](C)C(=O)O 9c9e167784ec1fd5265aa094a42d05d8 [0,1,1,0,0,0|0,0,2]=4 693 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,1,1,0,0,0|2,0,0]=4 694 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,1,1,0,0,0|2,0,0]=4 695 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,1,1,0,0,0|2,0,0]=4 696 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,1,1,0,0,0|2,0,0]=4 697 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,1,1,0,0,0|2,0,0]=4 698 B8R0.8 CC(CNCF)C(=O)O 81c40ac360e7f6cce7aa3313199a6d5d [0,1,1,0,0,0|2,0,0]=4 699 B8R0.8 CC(CNCO)C(=O)O e22ad5b294faf2e87974a8321cb31821 [0,1,1,0,0,0|2,0,0]=4 700 B8R0.8 CC(COCF)C(=O)O 415e8d45727d24f32c3b9f930225f08d [0,1,1,0,0,0|2,0,0]=4 701 B8R0.8 CC(NCC#N)C(=O)O 7e0caa8ab91252d82a8f6abf878f244d [0,1,1,0,0,0|1,0,1]=4 702 B8R0.8 CC(NCC=O)C(=O)O 68b69b45ee2126dd65ee50d2916637e9 [0,1,1,0,0,0|1,0,1]=4 703 B8R0.8 CC(NCCBr)C(=O)N e1b4730b5fd9d92a2dbd4fe63157cabb [0,1,1,0,0,0|2,0,0]=4 704 B8R0.8 CC(NCCF)C(=O)N 953b8e834ec847c492e06ef848bdb316 [0,1,1,0,0,0|2,0,0]=4 705 B8R0.8 CC(NCCF)C(=O)O 826059aa4ee48cb4b37668249087cac6 [0,1,1,0,0,0|1,0,0]=3 706 B8R0.8 CC(NCCI)C(=O)N 7681945bc88c2670e6d790ebc46806ce [0,1,1,0,0,0|2,0,0]=4 707 B8R0.8 CC(NCCI)C(=O)O dee732c464e42a2d1492bb4c77f9d546 [0,1,1,0,0,0|1,0,0]=3 708 B8R0.8 CC(NCCO)C(=O)N 013333cfcf1fc8f500c98b282dda89b3 [0,1,1,0,0,0|2,0,0]=4 709 B8R0.8 CC(NCCO)C(=O)O d02ed597872d2f4c546187db89f2f220 [0,1,1,0,0,0|1,0,0]=3 710 B8R0.8 CC(NCCS)C(=O)N 572f0555a75dff8d0ea622872a8a561f [0,1,1,0,0,0|2,0,0]=4 711 B8R0.8 CC(NCCS)C(=O)O c86172ae088a1a89a361e8a05cbb9a1a [0,1,1,0,0,0|1,0,0]=3 712 B8R0.8 CC(OCCF)C(=O)O 6fd5e9a19867c7867b238e7d51a1feb1 [0,1,1,0,0,0|2,0,0]=4 713 B8R0.8 CC(OCCS)C(=O)O c6314cdd016da9ce267602a4c2560a24 [0,1,1,0,0,0|2,0,0]=4 714 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,1,1,0,0,0|1,0,1]=4 715 B8R0.8 CCCNC(=O)C(=O)N 13b9d7246a4f43d25f7b6094605e09c1 [0,1,1,0,0,0|1,0,1]=4 716 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,1,1,0,0,0|1,0,0]=3 717 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,1,1,0,0,0|1,0,0]=3 718 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,1,1,0,0,0|0,0,0]=2 719 B8R0.8 CCCNC(C)C(C)O d6d39af3e50c17151ef5fe5638b0cdf5 [0,1,1,0,0,0|1,0,1]=4 720 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,1,1,0,0,0|1,0,0]=3 721 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,1,1,0,0,0|0,0,0]=2 722 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,1,1,0,0,0|1,0,0]=3 723 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,1,1,0,0,0|0,0,0]=2 724 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,1,1,0,0,0|1,0,0]=3 725 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,1,1,0,0,0|0,0,0]=2 726 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,1,1,0,0,0|2,0,0]=4 727 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,1,1,0,0,0|2,0,0]=4 728 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,1,1,0,0,0|1,0,0]=3 729 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,1,1,0,0,0|2,0,0]=4 730 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,1,1,0,0,0|2,0,0]=4 731 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,1,1,0,0,0|1,0,0]=3 732 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,1,1,0,0,0|2,0,0]=4 733 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,1,1,0,0,0|1,0,0]=3 734 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,1,1,0,0,0|2,0,0]=4 735 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [0,1,1,0,0,0|2,0,0]=4 736 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [0,1,1,0,0,0|2,0,0]=4 737 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,1,1,0,0,0|2,0,0]=4 738 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [0,1,1,0,0,0|2,0,0]=4 739 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,1,1,0,0,0|2,0,0]=4 740 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [0,1,1,0,0,0|2,0,0]=4 741 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,1,1,0,0,0|2,0,0]=4 742 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,1,1,0,0,0|2,0,0]=4 743 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,1,1,0,0,0|2,0,0]=4 744 B8R0.8 COCNC(C)C(=O)N b4b2ce7b06452726f40d29c12e1e2d45 [0,1,1,0,0,0|2,0,0]=4 745 B8R0.8 COCNC(C)C(=O)O e8a36179375a090804a3295d43a4edc8 [0,1,1,0,0,0|1,0,0]=3 746 B8R0.8 COCNC(O)C(=O)O c63f3dcbd9e54c8057b6fa82b7adfdd8 [0,1,1,0,0,0|1,0,0]=3 747 B8R0.8 COCN[C@@H](C)C(=O)N 8b55f42ca22daaaacb13727c1eeadb78 [0,1,1,0,0,0|2,0,0]=4 748 B8R0.8 COCN[C@@H](C)C(=O)O 97f34448d198c44b13a9de86cde207b4 [0,1,1,0,0,0|1,0,0]=3 749 B8R0.8 COCN[C@H](C)C(=O)N eb2e7ecb7d7c9931c4aafa21b2d3cf84 [0,1,1,0,0,0|2,0,0]=4 750 B8R0.8 COCN[C@H](C)C(=O)O aa63150e151b1d92e3b97d3faa08a6a0 [0,1,1,0,0,0|1,0,0]=3 751 B8R0.8 CSCNC(C)C(=O)N 09e6b1dc62b63e7473b01cdc2aa52418 [0,1,1,0,0,0|2,0,0]=4 752 B8R0.8 CSCNC(C)C(=O)O ea815da10516e5245f4fabfad2c1e236 [0,1,1,0,0,0|1,0,0]=3 753 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,1,1,0,0,0|1,0,0]=3 754 B8R0.8 CSCN[C@@H](C)C(=O)N b433645c30d8ea8eea7e0c7ef027def3 [0,1,1,0,0,0|2,0,0]=4 755 B8R0.8 CSCN[C@@H](C)C(=O)O 7e48161f385aeb967c83dfdd3dbc82ac [0,1,1,0,0,0|1,0,0]=3 756 B8R0.8 CSCN[C@H](C)C(=O)N c7892432661f557a4875bbc0c66dca2f [0,1,1,0,0,0|2,0,0]=4 757 B8R0.8 CSCN[C@H](C)C(=O)O b9423e8ae3b110bd616b166a6c8e3236 [0,1,1,0,0,0|1,0,0]=3 758 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,1,1,0,0,0|2,0,0]=4 759 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,1,1,0,0,0|2,0,0]=4 760 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,1,1,0,0,0|2,0,0]=4 761 B8R0.8 C[C@@H](CNCF)C(=O)O 4d9173719fc4f49e4611760c33799bb2 [0,1,1,0,0,0|2,0,0]=4 762 B8R0.8 C[C@@H](CNCO)C(=O)O 129419d76dc5f85eaf247a7f67fc6cef [0,1,1,0,0,0|2,0,0]=4 763 B8R0.8 C[C@@H](COCF)C(=O)O aa505f32f4e5eedb1609c9fa6ceb286b [0,1,1,0,0,0|2,0,0]=4 764 B8R0.8 C[C@@H](NCC#N)C(=O)O 972d08b332f352aa44c3e39d4ac17eb7 [0,1,1,0,0,0|1,0,1]=4 765 B8R0.8 C[C@@H](NCC=O)C(=O)O a9f70b757fe4612e75dea21e3835d008 [0,1,1,0,0,0|1,0,1]=4 766 B8R0.8 C[C@@H](NCCBr)C(=O)N 5f0fef2d25c875361a1c1fb6719cbf97 [0,1,1,0,0,0|2,0,0]=4 767 B8R0.8 C[C@@H](NCCF)C(=O)N 2c520067e170d47a3eab9e4fbe585908 [0,1,1,0,0,0|2,0,0]=4 768 B8R0.8 C[C@@H](NCCF)C(=O)O c985c930a75dd7ef32b597383fbe6b60 [0,1,1,0,0,0|1,0,0]=3 769 B8R0.8 C[C@@H](NCCI)C(=O)N 76a020fa2d2de1a12301f9ed6a01f3a0 [0,1,1,0,0,0|2,0,0]=4 770 B8R0.8 C[C@@H](NCCI)C(=O)O 8a10c2dc2b0ccfee702f35e3cbddbf0d [0,1,1,0,0,0|1,0,0]=3 771 B8R0.8 C[C@@H](NCCO)C(=O)N 11b4a7b8afa7b38c3221de9b75563071 [0,1,1,0,0,0|2,0,0]=4 772 B8R0.8 C[C@@H](NCCO)C(=O)O 773cefab23e4277c3fec27f25db9fd3e [0,1,1,0,0,0|1,0,0]=3 773 B8R0.8 C[C@@H](NCCS)C(=O)N eaed8a8bc3443962f8e57846d7a55f89 [0,1,1,0,0,0|2,0,0]=4 774 B8R0.8 C[C@@H](NCCS)C(=O)O 19d484937376b7d19ec4ad31c032ffd8 [0,1,1,0,0,0|1,0,0]=3 775 B8R0.8 C[C@@H](OCCF)C(=O)O c9253212131f04406411165ed9fada60 [0,1,1,0,0,0|2,0,0]=4 776 B8R0.8 C[C@@H](OCCS)C(=O)O ac3bfc55d41f7a030484bfd593511e60 [0,1,1,0,0,0|2,0,0]=4 777 B8R0.8 C[C@H](CNCF)C(=O)O 9d81b94206f75ee21b4db163708e8702 [0,1,1,0,0,0|2,0,0]=4 778 B8R0.8 C[C@H](CNCO)C(=O)O 722d39fe0a80aec373909ca981cc2ac2 [0,1,1,0,0,0|2,0,0]=4 779 B8R0.8 C[C@H](COCF)C(=O)O 45766ea01c28bb0aca00c5be08dc9be3 [0,1,1,0,0,0|2,0,0]=4 780 B8R0.8 C[C@H](NCC#N)C(=O)O e4147ba99646ec3a91b79b66bb7623a1 [0,1,1,0,0,0|1,0,1]=4 781 B8R0.8 C[C@H](NCC=O)C(=O)O 8f3e3a2e655b122b5dbf67e5312baae9 [0,1,1,0,0,0|1,0,1]=4 782 B8R0.8 C[C@H](NCCBr)C(=O)N c654f0586f8c23ee904ea4efbdaa6282 [0,1,1,0,0,0|2,0,0]=4 783 B8R0.8 C[C@H](NCCF)C(=O)N e75d3c5e3e987293ab038f42699088fd [0,1,1,0,0,0|2,0,0]=4 784 B8R0.8 C[C@H](NCCF)C(=O)O fd1f98b23619529732be37e8295a849a [0,1,1,0,0,0|1,0,0]=3 785 B8R0.8 C[C@H](NCCI)C(=O)N 67fe932a80a9eec1720ad4855692ad60 [0,1,1,0,0,0|2,0,0]=4 786 B8R0.8 C[C@H](NCCI)C(=O)O 14879b70406900d3b9c0aef15c8804ba [0,1,1,0,0,0|1,0,0]=3 787 B8R0.8 C[C@H](NCCO)C(=O)N ead3141575cb05538a172d8fe0fd315f [0,1,1,0,0,0|2,0,0]=4 788 B8R0.8 C[C@H](NCCO)C(=O)O 76808623850f5a1065c978caf5c977ca [0,1,1,0,0,0|1,0,0]=3 789 B8R0.8 C[C@H](NCCS)C(=O)N 66f3a08d77bb976c0eb5f803b01afeb5 [0,1,1,0,0,0|2,0,0]=4 790 B8R0.8 C[C@H](NCCS)C(=O)O f9c7d821f3499388f2c0c427911263cd [0,1,1,0,0,0|1,0,0]=3 791 B8R0.8 C[C@H](OCCF)C(=O)O 743b16156cee7adc3f15423098970a5c [0,1,1,0,0,0|2,0,0]=4 792 B8R0.8 C[C@H](OCCS)C(=O)O b485ed5c5773edd40292f7e36c453e29 [0,1,1,0,0,0|2,0,0]=4 793 B8R0.8 N#CCNC(O)C(=O)O eec7ef83cf88af6ac7f289ccc2020fe0 [0,1,1,0,0,0|1,0,1]=4 794 B8R0.8 NC(=O)C(F)NCCBr 7b2f59324313e93e737f5e8d44c95a2c [0,1,1,0,0,0|2,0,0]=4 795 B8R0.8 NC(=O)C(F)NCCI 4fa570523e6226333623796420bfec05 [0,1,1,0,0,0|2,0,0]=4 796 B8R0.8 NC(=O)C(F)NCCO 8ea465c04b3d341359f3e0754df88307 [0,1,1,0,0,0|2,0,0]=4 797 B8R0.8 O=C(O)C(F)CNCF f1a9030b4e84b2808ed1cc96323a1748 [0,1,1,0,0,0|2,0,0]=4 798 B8R0.8 O=C(O)C(F)CNCO c5cb63252e280c78105d540035d06dac [0,1,1,0,0,0|2,0,0]=4 799 B8R0.8 O=C(O)C(O)CNCF b50e1442b5c6266934863854576a8d3d [0,1,1,0,0,0|2,0,0]=4 800 B8R0.8 O=C(O)C(O)CNCO 898dc7e3ebc74408e9fbb99b51d98f75 [0,1,1,0,0,0|2,0,0]=4 801 B8R0.8 O=C(O)C(O)NCCF f448ef4ffbf11843dbee1bb8436d2a0c [0,1,1,0,0,0|1,0,0]=3 802 B8R0.8 O=C(O)C(O)NCCO 698911e1d3457f5b9e37a340d950957a [0,1,1,0,0,0|1,0,0]=3 803 B8R0.8 O=C(O)C(O)NCCS 5346421c4abaa0529702e1282d1c5a95 [0,1,1,0,0,0|1,0,0]=3 804 B8R0.8 O=C(O)[C@@H](O)CNCF dfc3ee5c735555d7aca49144f695826d [0,1,1,0,0,0|2,0,0]=4 805 B8R0.8 O=C(O)[C@@H](O)CNCO cdd1082cc3946b226b2ffbc1066fef89 [0,1,1,0,0,0|2,0,0]=4 806 B8R0.8 O=C(O)[C@H](O)CNCF 5dbad60ab052faf0f2f5f615bfe59344 [0,1,1,0,0,0|2,0,0]=4 807 B8R0.8 O=C(O)[C@H](O)CNCO 71211b0d7c7b20837b97e49988848369 [0,1,1,0,0,0|2,0,0]=4 808 B8R0.8 O=CCNC(O)C(=O)O 8520717b1a1e11d4c35b09a14aaf7e93 [0,1,1,0,0,0|1,0,1]=4 809 B8R0.9 C#CC(C)NCC(=O)O 6d3e097d7e417cba1ca3cc5354bf3682 [0,1,1,0,0,0|0,0,2]=4 810 B8R0.9 C#C[C@@H](C)NCC(=O)O 870b1440fbecf6ad620d6ff4e4eac50b [0,1,1,0,0,0|0,0,2]=4 811 B8R0.9 C#C[C@H](C)NCC(=O)O 3c98bce4a0db3f45a27121a2c37598a6 [0,1,1,0,0,0|0,0,2]=4 812 B8R0.9 C=C(Br)CNC(C)CC e82847dcad9ed2bd533fd2563c3b519d [0,1,1,0,0,0|2,0,0]=4 813 B8R0.9 C=C(Br)CN[C@@H](C)CC 37f7a7e42f3e467987064f3f419e144d [0,1,1,0,0,0|2,0,0]=4 814 B8R0.9 C=C(Br)CN[C@H](C)CC 1b5c6508d8f52572aaaac189914383ff [0,1,1,0,0,0|2,0,0]=4 815 B8R0.9 C=C(C)CNC(C)CC 256f62cec490bafed043741999c25df4 [0,1,1,0,0,0|2,0,0]=4 816 B8R0.9 C=C(C)CN[C@@H](C)CC d26c3d64a9f189169a5866d4e2b497b9 [0,1,1,0,0,0|2,0,0]=4 817 B8R0.9 C=C(C)CN[C@H](C)CC 63a0b508416fa3ab231e5f743622aa6e [0,1,1,0,0,0|2,0,0]=4 818 B8R0.9 C=C(Cl)CNC(C)CC 076dd5595da9764c1f8638621b66326f [0,1,1,0,0,0|2,0,0]=4 819 B8R0.9 C=C(Cl)CN[C@@H](C)CC 6844b9915d30cf390d84dd923074ff78 [0,1,1,0,0,0|2,0,0]=4 820 B8R0.9 C=C(Cl)CN[C@H](C)CC 00f99e20e2c66def762893e8ac89e470 [0,1,1,0,0,0|2,0,0]=4 821 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,1,1,0,0,0|0,0,2]=4 822 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,1,1,0,0,0|2,0,0]=4 823 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,1,1,0,0,0|2,0,0]=4 824 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,1,1,0,0,0|2,0,0]=4 825 B8R0.9 CC(C#N)NCC(=O)O b4dc74a9f9a0e75fffde2f481c0af544 [0,1,1,0,0,0|1,0,1]=4 826 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,1,1,0,0,0|1,0,1]=4 827 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,1,1,0,0,0|2,0,0]=4 828 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,1,1,0,0,0|2,0,0]=4 829 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,1,1,0,0,0|1,0,0]=3 830 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,1,1,0,0,0|2,0,0]=4 831 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,1,1,0,0,0|1,0,1]=4 832 B8R0.9 CCC(=O)NCC(=O)N 07cfd3edf39ace2eb27c9b7f36ff92b5 [0,1,1,0,0,0|1,0,1]=4 833 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,1,1,0,0,0|1,0,0]=3 834 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,1,1,0,0,0|1,0,0]=3 835 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,1,1,0,0,0|0,0,0]=2 836 B8R0.9 CCC(C)NCC(C)O 04be39588a5f09c70c74f1ca60cd63ac [0,1,1,0,0,0|1,0,1]=4 837 B8R0.9 CCC(C)NC[C@@H](C)O 6e798d5c3d31a8f8773bcdb1d14bb58f [0,1,1,0,0,0|1,0,1]=4 838 B8R0.9 CCC(C)NC[C@H](C)O b6ed82170374565ef8a62802ade9580c [0,1,1,0,0,0|1,0,1]=4 839 B8R0.9 CCC(C)NC[N+](=O)[O-] e9f660b74a6c0107f128f338922566a2 [0,1,1,0,0,0|1,0,1]=4 840 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,1,1,0,0,0|2,0,0]=4 841 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,1,1,0,0,0|2,0,0]=4 842 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,1,1,0,0,0|1,0,0]=3 843 B8R0.9 CCC(C)OCS(=O)O 218f2e14527146233901e95c42e5bea0 [0,1,1,0,0,0|2,0,0]=4 844 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,1,1,0,0,0|2,0,0]=4 845 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,1,1,0,0,0|1,0,0]=3 846 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,1,1,0,0,0|0,0,0]=2 847 B8R0.9 CC[C@@H](C)NCC(C)O 2677141b66bad4e2c96cd57b714806ea [0,1,1,0,0,0|1,0,1]=4 848 B8R0.9 CC[C@@H](C)NC[C@@H](C)O 259bc8325537e1de1a944df75fdf21f1 [0,1,1,0,0,0|1,0,1]=4 849 B8R0.9 CC[C@@H](C)NC[C@H](C)O 939311d357bc0680fabba2ce4e70d859 [0,1,1,0,0,0|1,0,1]=4 850 B8R0.9 CC[C@@H](C)NC[N+](=O)[O-] 196855ed8a578e4d6ce39740ba6a0275 [0,1,1,0,0,0|1,0,1]=4 851 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,1,1,0,0,0|2,0,0]=4 852 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,1,1,0,0,0|1,0,0]=3 853 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,1,1,0,0,0|1,0,0]=3 854 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,1,1,0,0,0|0,0,0]=2 855 B8R0.9 CC[C@H](C)NCC(C)O 99099c99fd14ec2545d713f92de4a778 [0,1,1,0,0,0|1,0,1]=4 856 B8R0.9 CC[C@H](C)NC[C@@H](C)O 12a96eae09dd452a73c94b544346a630 [0,1,1,0,0,0|1,0,1]=4 857 B8R0.9 CC[C@H](C)NC[C@H](C)O 4c33e4d27654f70efbcc25d8010eeae9 [0,1,1,0,0,0|1,0,1]=4 858 B8R0.9 CC[C@H](C)NC[N+](=O)[O-] 235d75636034ba6aeae1eb82d8162dd7 [0,1,1,0,0,0|1,0,1]=4 859 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,1,1,0,0,0|2,0,0]=4 860 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,1,1,0,0,0|1,0,0]=3 861 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,1,1,0,0,0|2,0,0]=4 862 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,1,1,0,0,0|2,0,0]=4 863 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,1,1,0,0,0|2,0,0]=4 864 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,1,1,0,0,0|1,0,0]=3 865 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,1,1,0,0,0|1,0,1]=4 866 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,1,1,0,0,0|2,0,0]=4 867 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,1,1,0,0,0|1,0,0]=3 868 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,1,1,0,0,0|2,0,0]=4 869 B8R0.21 CCCNCC(C)(C)O 18de978f243abf958b8fb4be676e0386 [0,1,1,0,0,0|1,0,1]=4 870 B8R0.21 CCCNCS(=O)(=O)C 0c5ac4b5c3470daba42966bdd3f646a9 [0,1,1,0,0,0|1,0,1]=4 871 B8R0.21 CCCNCS(=O)(=O)O c0c272cba9e882210fb295ca9f24006a [0,1,1,0,0,0|1,0,0]=3 872 B8R0.21 COCNCS(=O)(=O)O 600274e93e85848d32ae4fe058f055b1 [0,1,1,0,0,0|2,0,0]=4 873 B8R0.21 CSCNCS(=O)(=O)O 62363713e894550100cea6b057608371 [0,1,1,0,0,0|2,0,0]=4 874 B8R0.21 O=S(=O)(O)CNCCBr 39384781ab8ced3c46e702ed1a016fa0 [0,1,1,0,0,0|2,0,0]=4 875 B8R0.21 O=S(=O)(O)CNCCF 518e304fb04a6d64296eeff3e3703547 [0,1,1,0,0,0|2,0,0]=4 876 B8R0.21 O=S(=O)(O)CNCCI 980de2793553854b7b80f9bc404c21ae [0,1,1,0,0,0|2,0,0]=4 877 B8R0.21 O=S(=O)(O)CNCCO 21a8a84caaf2ec0426f64a432c6ccee3 [0,1,1,0,0,0|2,0,0]=4 878 B8R0.21 O=S(=O)(O)CNCCS dd21da3dfbd433caf9bcaab91f5648b2 [0,1,1,0,0,0|2,0,0]=4 879 B8R0.28 C=C(Br)CNCC(=O)O 05b7dbb61d35e1c0bd7bb81a555d18bd [0,1,1,0,0,0|0,0,2]=4 880 B8R0.28 C=C(Br)CNCC(C)C c8a2223ad4fb68f566d748ff6bcd2335 [0,1,1,0,0,0|2,0,0]=4 881 B8R0.28 C=C(Br)CNCC(C)O 9fb88a0948d2e5bdf12f9b78629816f0 [0,1,1,0,0,0|2,0,0]=4 882 B8R0.28 C=C(Br)CNC[C@@H](C)O 843a61826fe7455ba2b3f5f07151d5c5 [0,1,1,0,0,0|2,0,0]=4 883 B8R0.28 C=C(Br)CNC[C@H](C)O 0daca7fb153be7ef914c69654154289c [0,1,1,0,0,0|2,0,0]=4 884 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,1,1,0,0,0|1,0,1]=4 885 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [0,1,1,0,0,0|1,0,1]=4 886 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,1,1,0,0,0|0,0,1]=3 887 B8R0.28 C=C(C)CNCC(C)C 67c871a24d86e1667f16c08c29255d90 [0,1,1,0,0,0|2,0,0]=4 888 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,1,1,0,0,0|2,0,0]=4 889 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,1,1,0,0,0|2,0,0]=4 890 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,1,1,0,0,0|2,0,0]=4 891 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,1,1,0,0,0|1,0,1]=4 892 B8R0.28 C=C(Cl)CNCC(=O)O 0ea0d61f8e1c4c420d416d9dc1a60953 [0,1,1,0,0,0|0,0,2]=4 893 B8R0.28 C=C(Cl)CNCC(C)C 133a90dc6fd28ed81828592e584bc629 [0,1,1,0,0,0|2,0,0]=4 894 B8R0.28 C=C(Cl)CNCC(C)O 5723a59eceb538443c101fe4a14a018e [0,1,1,0,0,0|2,0,0]=4 895 B8R0.28 C=C(Cl)CNC[C@@H](C)O f53fddb474e2270f7fa67d391d9fef18 [0,1,1,0,0,0|2,0,0]=4 896 B8R0.28 C=C(Cl)CNC[C@H](C)O dfc3eeb46d1a4de13fa18f5be91bff05 [0,1,1,0,0,0|2,0,0]=4 897 B8R0.28 C=C(F)CNCC(=O)O aab76ef26695cab61ed52383b845bb72 [0,1,1,0,0,0|0,0,2]=4 898 B8R0.28 C=C(F)CNCC(C)C cf657ab8bf1ba535863f8b8fe0d19e9c [0,1,1,0,0,0|2,0,0]=4 899 B8R0.28 C=C(F)CNCC(C)O bc993c0f4fc07f9dd2d0a6e11268cc9c [0,1,1,0,0,0|2,0,0]=4 900 B8R0.28 C=C(F)CNC[C@@H](C)O 22a4aa447954801f083163f99675e6c7 [0,1,1,0,0,0|2,0,0]=4 901 B8R0.28 C=C(F)CNC[C@H](C)O aacdff2ab85fae1372e6021530c115ca [0,1,1,0,0,0|2,0,0]=4 902 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,1,1,0,0,0|1,0,1]=4 903 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,1,1,0,0,0|0,0,1]=3 904 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,1,1,0,0,0|1,0,0]=3 905 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,1,1,0,0,0|1,0,0]=3 906 B8R0.28 CC(=O)CNCC(F)F 040d59234b7876c01745adf80e5ff725 [0,1,1,0,0,0|2,0,0]=4 907 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,1,1,0,0,0|2,0,0]=4 908 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,1,1,0,0,0|1,0,0]=3 909 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,1,1,0,0,0|1,0,0]=3 910 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,1,1,0,0,0|1,0,1]=4 911 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,1,1,0,0,0|2,0,0]=4 912 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,1,1,0,0,0|1,0,0]=3 913 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,1,1,0,0,0|0,0,0]=2 914 B8R0.28 CC(C)CNCC(C)O f8d531c214571702a8653351806334e8 [0,1,1,0,0,0|1,0,1]=4 915 B8R0.28 CC(C)CNC[C@@H](C)O 4626559d474fbd5d133e353e8138e591 [0,1,1,0,0,0|1,0,1]=4 916 B8R0.28 CC(C)CNC[C@H](C)O 5c0fd92b864c5a52f9fd6fbeaf433485 [0,1,1,0,0,0|1,0,1]=4 917 B8R0.28 CC(C)CNC[N+](=O)[O-] e5f388f51900fde81f64a7b5204f667c [0,1,1,0,0,0|1,0,1]=4 918 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,1,1,0,0,0|2,0,0]=4 919 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,1,1,0,0,0|1,0,0]=3 920 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,1,1,0,0,0|2,0,0]=4 921 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,1,1,0,0,0|2,0,0]=4 922 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,1,1,0,0,0|2,0,0]=4 923 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,1,1,0,0,0|2,0,0]=4 924 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,1,1,0,0,0|1,0,0]=3 925 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,1,1,0,0,0|1,0,0]=3 926 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,1,1,0,0,0|0,0,0]=2 927 B8R0.28 CC(O)CNCC(C)O 4a2a1f1df64d323049b6cc3bed5f7eec [0,1,1,0,0,0|1,0,1]=4 928 B8R0.28 CC(O)CNC[C@@H](C)O a13654c0e0b2e8824a94b55cc885b895 [0,1,1,0,0,0|1,0,1]=4 929 B8R0.28 CC(O)CNC[C@H](C)O bb487d5d5b847c9d75f817219d3b7658 [0,1,1,0,0,0|1,0,1]=4 930 B8R0.28 CC(O)CNC[N+](=O)[O-] bc0706f83a86096652412116c255ac51 [0,1,1,0,0,0|1,0,1]=4 931 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,1,1,0,0,0|2,0,0]=4 932 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,1,1,0,0,0|1,0,0]=3 933 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,1,1,0,0,0|2,0,0]=4 934 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,1,1,0,0,0|1,0,0]=3 935 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,1,1,0,0,0|2,0,0]=4 936 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,1,1,0,0,0|2,0,0]=4 937 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,1,1,0,0,0|1,0,0]=3 938 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,1,1,0,0,0|1,0,0]=3 939 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,1,1,0,0,0|0,0,0]=2 940 B8R0.28 C[C@@H](O)CNC[C@@H](C)O 16696c158ac89d0a205b741acfd241ab [0,1,1,0,0,0|1,0,1]=4 941 B8R0.28 C[C@@H](O)CNC[N+](=O)[O-] 01add8d4900a3d2c9dbb3cfa1d1d3bed [0,1,1,0,0,0|1,0,1]=4 942 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,1,1,0,0,0|2,0,0]=4 943 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,1,1,0,0,0|1,0,0]=3 944 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,1,1,0,0,0|1,0,0]=3 945 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,1,1,0,0,0|0,0,0]=2 946 B8R0.28 C[C@H](O)CNC[C@@H](C)O f1681b429c26c45959758bad686c97ff [0,1,1,0,0,0|1,0,1]=4 947 B8R0.28 C[C@H](O)CNC[C@H](C)O bcf7a2c6e4dddb3906509a8f040e6475 [0,1,1,0,0,0|1,0,1]=4 948 B8R0.28 C[C@H](O)CNC[N+](=O)[O-] 071b6815174fac0844082b8d40c109bc [0,1,1,0,0,0|1,0,1]=4 949 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [0,1,1,0,0,0|1,0,1]=4 950 B8R0.28 NC(=O)CNCC(F)F 602feedc68194f5f28e59a8b32c64405 [0,1,1,0,0,0|2,0,0]=4 951 B8R0.28 NC(=O)COCC(=O)O ca1a8d30b253d832771128a06ed499a3 [0,1,1,0,0,0|1,0,1]=4 952 B8R0.28 NC(=S)COCC(=O)O 29d31950ca99b5fd12dd696af3cc0c91 [0,1,1,0,0,0|1,0,1]=4 953 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [0,1,1,0,0,0|1,0,1]=4 954 B8R0.28 O=C(O)CNCC(F)F 040842ed6827b9851af762c119c56595 [0,1,1,0,0,0|1,0,0]=3 955 B8R0.28 O=C(O)CNC[N+](=O)[O-] 806b61457d3ba2a02c5db02823c3bf09 [0,1,1,0,0,0|2,0,0]=4 956 B8R0.28 O=C(O)COCC(F)F 9e8fe105feb56c3ab08ea5459b7002d2 [0,1,1,0,0,0|2,0,0]=4 957 B8R0.2 CC(C(=O)N)N(C)CF 3c3f87bed206a80640b27644de62b85a [0,1,1,0,0,0|2,0,0]=4 958 B8R0.2 CC(C(=O)N)N(C)CO ae4ba5bba1f3ebfc5e18a030b582da9e [0,1,1,0,0,0|2,0,0]=4 959 B8R0.2 CC(C(=O)O)N(C)CF a3094bf427f297ebd8902941068ac9f2 [0,1,1,0,0,0|1,0,0]=3 960 B8R0.2 CC(C(=O)O)N(C)CO b0a7b81e88a446de30ff43a7aa3ff0e5 [0,1,1,0,0,0|1,0,0]=3 961 B8R0.2 CCN(C)C(C)C(=O)C b0aebe8e13e2528b49b039e15b578c7c [0,1,1,0,0,0|1,0,0]=3 962 B8R0.2 CCN(C)C(C)C(=O)N c9d5fe87f550d78b666f9d69e7149698 [0,1,1,0,0,0|1,0,0]=3 963 B8R0.2 CCN(C)C(C)C(=O)O 6f2a7033474106426aec9bd9ed3b37aa [0,1,1,0,0,0|0,0,0]=2 964 B8R0.2 CCN(C)C(C)C(=S)N 8c98954ac4fb316d45fe3a223278fa1a [0,1,1,0,0,0|1,1,0]=4 965 B8R0.2 CCN(C)C(F)C(=O)N 38943317264fb5f4bb1b8ecb07aa912e [0,1,1,0,0,0|2,0,0]=4 966 B8R0.2 CCN(C)[C@@H](C)C(=O)N e92486f9a20f42ba27598bb897bbfb89 [0,1,1,0,0,0|1,0,0]=3 967 B8R0.2 CCN(C)[C@@H](C)C(=O)O ccda40b7947e3ec868172b2d11a39e32 [0,1,1,0,0,0|0,0,0]=2 968 B8R0.2 CCN(C)[C@H](C)C(=O)N 00061aa619b17a93e01c3e5051412b52 [0,1,1,0,0,0|1,0,0]=3 969 B8R0.2 CCN(C)[C@H](C)C(=O)O a423cd91a719c568f85e9128b6162ae1 [0,1,1,0,0,0|0,0,0]=2 970 B8R0.2 C[C@@H](C(=O)N)N(C)CF 2f40c584e866979365837219f15e6868 [0,1,1,0,0,0|2,0,0]=4 971 B8R0.2 C[C@@H](C(=O)N)N(C)CO 3a3fef6cb3764aa486ea0f1fb8393e88 [0,1,1,0,0,0|2,0,0]=4 972 B8R0.2 C[C@@H](C(=O)O)N(C)CF 0d6ed7ad4ea7484d5b39a392e405ff32 [0,1,1,0,0,0|1,0,0]=3 973 B8R0.2 C[C@@H](C(=O)O)N(C)CO c3f75a694235527c6388e6d7e2f17c01 [0,1,1,0,0,0|1,0,0]=3 974 B8R0.2 C[C@H](C(=O)O)N(C)CF 61c68bea78cdcd7c2b85cec5a91e35a8 [0,1,1,0,0,0|1,0,0]=3 975 B8R0.2 C[C@H](C(=O)O)N(C)CO 5d794c52438840dfb85878a5327b44ff [0,1,1,0,0,0|1,0,0]=3 976 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,1,1,0,0,0|2,0,0]=4 977 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,1,1,0,0,0|1,0,0]=3 978 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,1,1,0,0,0|1,0,0]=3 979 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,1,1,0,0,0|1,0,0]=3 980 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,1,1,0,0,0|1,0,0]=3 981 B8R0.3 CNC(=O)C(C)NCF 36961f48791e8b3196a594acce9c8e8a [0,1,1,0,0,0|2,0,0]=4 982 B8R0.3 CNC(=O)C(C)NCO a34e41a62dab697e3cedeec3c087b7b0 [0,1,1,0,0,0|2,0,0]=4 983 B8R0.3 COC(=O)C(C)NC#N 0da26f030d7cbb617c3d102fad361d22 [0,1,1,0,0,0|1,0,1]=4 984 B8R0.3 COC(=O)C(C)OCF 225188b3064670e98f4e80d2140895bc [0,1,1,0,0,0|2,0,0]=4 985 B8R0.3 COC(=O)[C@@H](C)NC#N c796307ff0b9ba8fc5b9db354520dce4 [0,1,1,0,0,0|1,0,1]=4 986 B8R0.3 COC(=O)[C@@H](C)OCF 91f7505b58320e2d5e72e03fb5b0d0c5 [0,1,1,0,0,0|2,0,0]=4 987 B8R0.3 COC(=O)[C@H](C)NC#N 33f198992691a24d8b15f51815640099 [0,1,1,0,0,0|1,0,1]=4 988 B8R0.3 COC(=O)[C@H](C)OCF 1dbcfe62c201ad25840f7e5329cbdc78 [0,1,1,0,0,0|2,0,0]=4 989 B8R0.12 CC(=O)C(C)(C)NCF ee1ad614b6deda63a05f91d38cc61108 [0,1,1,0,0,0|2,0,0]=4 990 B8R0.12 CC(=O)C(C)(C)NCO 3e068c30a895bb404d4fab2097612865 [0,1,1,0,0,0|2,0,0]=4 991 B8R0.12 CC(C)(NCF)C(=O)N e78e887fdd3c0b7785df5e19b3cfc6da [0,1,1,0,0,0|2,0,0]=4 992 B8R0.12 CC(C)(NCF)C(=O)O f9e92278861b7cfa6593cc57e317672c [0,1,1,0,0,0|1,0,0]=3 993 B8R0.12 CC(C)(NCO)C(=O)N 2bac90466422ccd2972ee0c62ce071d4 [0,1,1,0,0,0|2,0,0]=4 994 B8R0.12 CC(C)(NCO)C(=O)O b9fb05c46397d03ef9aa863b94853bfb [0,1,1,0,0,0|1,0,0]=3 995 B8R0.12 CCNC(C)(C)C(=O)C cc6332268668580c950a0bb19a912075 [0,1,1,0,0,0|1,0,0]=3 996 B8R0.12 CCNC(C)(C)C(=O)N c9d91f1d91cd057da4582a1b54997e63 [0,1,1,0,0,0|1,0,0]=3 997 B8R0.12 CCNC(C)(C)C(=O)O 6a4bebf8bb98ff706835230f86b4cd13 [0,1,1,0,0,0|0,0,0]=2 998 B8R0.12 CCNC(C)(C)C(C)O 22b397df5f25ad3f637025e1a5979f01 [0,1,1,0,0,0|1,0,1]=4 999 B8R0.14 CCNC(C)C(C)(C)O c2b220c60842fefa41a65d95c0957306 [0,1,1,0,0,0|1,0,1]=4 1000 B8R0.14 CCN[C@@H](C)C(C)(C)O 4cdfa28dee0510e65665c3d7949f63d0 [0,1,1,0,0,0|1,0,1]=4 1001 B8R0.14 CCN[C@H](C)C(C)(C)O 9dd976226d1cb1ad5fe6d4e6329a3f53 [0,1,1,0,0,0|1,0,1]=4 1002 B8R0.15 C#CC(OCC)C(=O)O ad5f5db2dc84c44b6973fc430054569b [0,1,1,0,0,0|1,0,1]=4 1003 B8R0.15 C/C=C(\OCC)/C(=O)O ed3460e0bbe0f0b117145ec3b6c6a2c3 [0,1,1,0,0,0|1,0,1]=4 1004 B8R0.15 C=CC(NCC)C(=O)O b4ac7d60381bf72b1b23118f771cafec [0,1,1,0,0,0|0,0,1]=3 1005 B8R0.15 C=CC(NCF)C(=O)O 3b1cadf10156d31d21dabae90070459b [0,1,1,0,0,0|1,0,1]=4 1006 B8R0.15 C=CC(NCO)C(=O)O 02434f0cc2ab88a157fbbfde94d9a490 [0,1,1,0,0,0|1,0,1]=4 1007 B8R0.15 C=C[C@H](NCC)C(=O)O 5c2988d6d8a73101b114f1f85def6c90 [0,1,1,0,0,0|0,0,1]=3 1008 B8R0.15 C=C[C@H](NCF)C(=O)O d143ab86678a93c80c8a056198d3e9e0 [0,1,1,0,0,0|1,0,1]=4 1009 B8R0.15 C=C[C@H](NCO)C(=O)O 91a74614650e784312c5d23758a5a16b [0,1,1,0,0,0|1,0,1]=4 1010 B8R0.15 CCC(NC#N)C(=O)O 76cd02262d29071da13818be79e9be49 [0,1,1,0,0,0|1,0,1]=4 1011 B8R0.15 CCC(NCF)C(=O)N 9ab0d3256eb996f9dacf81a5a2263835 [0,1,1,0,0,0|2,0,0]=4 1012 B8R0.15 CCC(NCF)C(=O)O 850ee032ff8e5d86c20bab43e234fbb6 [0,1,1,0,0,0|1,0,0]=3 1013 B8R0.15 CCC(NCO)C(=O)N 956554908595c50f2bdd7ffbe771073d [0,1,1,0,0,0|2,0,0]=4 1014 B8R0.15 CCC(NCO)C(=O)O db363ec4295a86c2fa409aac06a566a2 [0,1,1,0,0,0|1,0,0]=3 1015 B8R0.15 CCC(OCF)C(=O)O ef6f04d4d4b7d499812df6ebe4668f47 [0,1,1,0,0,0|2,0,0]=4 1016 B8R0.15 CCNC(C#N)C(=O)N 5c6cc89f2f2e4217355988ae0d5eb4aa [0,1,1,0,0,0|1,0,1]=4 1017 B8R0.15 CCNC(CC)C(=O)N 4d4bbfd758d3d1406449d11a7d12f485 [0,1,1,0,0,0|1,0,0]=3 1018 B8R0.15 CCNC(CC)C(=O)O 811bed40f759e9415b190b45b938f031 [0,1,1,0,0,0|0,0,0]=2 1019 B8R0.15 CCNC(CCl)C(=O)O a1a6122a812437e412d0d064cc9dd1e8 [0,1,1,0,0,0|0,0,0]=2 1020 B8R0.15 CCNC(CF)C(=O)O 017cf9dba405ee85cd9a648c4507e326 [0,1,1,0,0,0|0,0,0]=2 1021 B8R0.15 CCNC(CO)C(=O)N 4333fef656a065c1ba68ae2f13ae5e8b [0,1,1,0,0,0|1,0,0]=3 1022 B8R0.15 CCNC(CO)C(=O)O ebf98372f13717a9df2df682387bdc5a [0,1,1,0,0,0|0,0,0]=2 1023 B8R0.15 CCNC(CO)C(C)O ad7aae7bb760d2e1b98c8ce7819bdc47 [0,1,1,0,0,0|1,0,1]=4 1024 B8R0.15 CCNC(CS)C(=O)O 8d04389a625618eb9889b3cd17b2e8e6 [0,1,1,0,0,0|0,0,0]=2 1025 B8R0.15 CCN[C@@H](CC)C(=O)N 2ecd0466ce0392cdd810df37e1818d79 [0,1,1,0,0,0|1,0,0]=3 1026 B8R0.15 CCN[C@@H](CC)C(=O)O ad39164e8fc918d5e58308b586171474 [0,1,1,0,0,0|0,0,0]=2 1027 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 9437a38f8b758cb0a592817dd3b24faf [0,1,1,0,0,0|1,0,1]=4 1028 B8R0.15 CCN[C@@H](CCl)C(=O)O 81a0c413a80ec8dc4a086548b2e2f8a3 [0,1,1,0,0,0|0,0,0]=2 1029 B8R0.15 CCN[C@@H](CO)C(=O)N 3e6763ebcb86b94e60fc4ae0e4be563a [0,1,1,0,0,0|1,0,0]=3 1030 B8R0.15 CCN[C@@H](CO)C(=O)O e2d91799e466e2d5ad0fbeab938b0c5a [0,1,1,0,0,0|0,0,0]=2 1031 B8R0.15 CCN[C@@H](CO)[C@@H](C)O 5e0a77cb5e13b8d713dfcb4bffbd9580 [0,1,1,0,0,0|1,0,1]=4 1032 B8R0.15 CCN[C@@H](CO)[C@H](C)O e989700e5854e8bb09de2d57ba60972e [0,1,1,0,0,0|1,0,1]=4 1033 B8R0.15 CCN[C@@H](CS)C(=O)O ecb0401bca4bb7db9d87809814f9d4f3 [0,1,1,0,0,0|0,0,0]=2 1034 B8R0.15 CCN[C@H](CC)C(=O)O f7f7d1d8bf30d5fe2da91fe96021fe3c [0,1,1,0,0,0|0,0,0]=2 1035 B8R0.15 CCN[C@H](CC)[C@@H](C)O 43ee27f39678641d94beb29c7dca4d14 [0,1,1,0,0,0|1,0,1]=4 1036 B8R0.15 CCN[C@H](CC)[C@H](C)O 642a6caece15e7ad19edf53bc1e5c46e [0,1,1,0,0,0|1,0,1]=4 1037 B8R0.15 CCN[C@H](CCl)C(=O)O 26dcc066f21950a5ba1142c74ad60cbc [0,1,1,0,0,0|0,0,0]=2 1038 B8R0.15 CCN[C@H](CO)C(=O)O ceca2f5f870f50fddc0292e18011d619 [0,1,1,0,0,0|0,0,0]=2 1039 B8R0.15 CCN[C@H](CO)[C@@H](C)O 6b6bcea404a72286553397ddb2dfec02 [0,1,1,0,0,0|1,0,1]=4 1040 B8R0.15 CCN[C@H](CO)[C@H](C)O 63a966a5dd9e2873bf611f5e8b1501b7 [0,1,1,0,0,0|1,0,1]=4 1041 B8R0.15 CCN[C@H](CS)C(=O)O 7c010ea0d3f5055c0e7214a8d340a87c [0,1,1,0,0,0|0,0,0]=2 1042 B8R0.15 CCOC(CC)C(=O)N cc881244ff63cfdfd012c91254de1749 [0,1,1,0,0,0|2,0,0]=4 1043 B8R0.15 CCOC(CC)C(=O)O 382aa920ebdd6f2bbe768902640ad9e2 [0,1,1,0,0,0|1,0,0]=3 1044 B8R0.15 CCO[C@@H](CC)C(=O)O 94f5195873e16b29cb1b8369b5daad14 [0,1,1,0,0,0|1,0,0]=3 1045 B8R0.15 CCO[C@H](CC)C(=O)O b8c9ca25086a8c61d2a1f7aecbcec13d [0,1,1,0,0,0|1,0,0]=3 1046 B8R0.15 CCO[C@H](CF)C(=O)O afbab515ead87d58e6c9f68e24ff80d8 [0,1,1,0,0,0|1,0,0]=3 1047 B8R0.15 CC[C@@H](NC#N)C(=O)O 88a898e4203ef234e769571e9f416da9 [0,1,1,0,0,0|1,0,1]=4 1048 B8R0.15 CC[C@@H](NCF)C(=O)O 9592ba18488e06d007c56e3bb749b243 [0,1,1,0,0,0|1,0,0]=3 1049 B8R0.15 CC[C@@H](NCO)C(=O)O 97715112de1ce5ecb2509133cc9cdaa1 [0,1,1,0,0,0|1,0,0]=3 1050 B8R0.15 CC[C@@H](OCF)C(=O)O 04c614c037a7fb2cad756976721bea17 [0,1,1,0,0,0|2,0,0]=4 1051 B8R0.15 CC[C@H](NC#N)C(=O)O 980ab87570d499158253b3f0ba64409b [0,1,1,0,0,0|1,0,1]=4 1052 B8R0.15 CC[C@H](NCF)C(=O)N 75c0f415f49388ef58931a8345c05589 [0,1,1,0,0,0|2,0,0]=4 1053 B8R0.15 CC[C@H](NCF)C(=O)O 92c72ae7fc2c9386004189c4ccda19a9 [0,1,1,0,0,0|1,0,0]=3 1054 B8R0.15 CC[C@H](NCO)C(=O)N 447f79d1a4a79d049ea2d6100ab9facb [0,1,1,0,0,0|2,0,0]=4 1055 B8R0.15 CC[C@H](NCO)C(=O)O 095847387652246d94b75d260940e322 [0,1,1,0,0,0|1,0,0]=3 1056 B8R0.15 CC[C@H](OCF)C(=O)O c3e3503168943a92d052ee029c13c59a [0,1,1,0,0,0|2,0,0]=4 1057 B8R0.15 N#CNC(CF)C(=O)O 1ac94b0909e5a5aec24ef75b1ca0ca1e [0,1,1,0,0,0|1,0,1]=4 1058 B8R0.15 N#CNC(CO)C(=O)O 85541225f0b1b83215ba7d69a43d3feb [0,1,1,0,0,0|1,0,1]=4 1059 B8R0.15 N#CN[C@@H](CO)C(=O)O 556ac31197e1570c7728b498d8b9b2f2 [0,1,1,0,0,0|1,0,1]=4 1060 B8R0.15 N#CN[C@H](CO)C(=O)O 4cda9fa99b7d10a472e331756f21fbbe [0,1,1,0,0,0|1,0,1]=4 1061 B8R0.15 NC(=O)C(CO)NCF 1c40122b6c01e2e59939fc3015ef9422 [0,1,1,0,0,0|2,0,0]=4 1062 B8R0.15 NC(=O)C(CO)NCO e3c4b26575b76381928138874dd01f53 [0,1,1,0,0,0|2,0,0]=4 1063 B8R0.15 NC(=O)[C@H](CO)NCF b5c869e8f2cc447978f8f59cdacbf863 [0,1,1,0,0,0|2,0,0]=4 1064 B8R0.15 NC(=O)[C@H](CO)NCO 1ce572a1ecbf5c38dff74acb76ef6193 [0,1,1,0,0,0|2,0,0]=4 1065 B8R0.15 O=C(O)C(CCl)NCF 345f20f31e3e9323b766d08f3e4d0312 [0,1,1,0,0,0|1,0,0]=3 1066 B8R0.15 O=C(O)C(CCl)NCO 87909341b2a2401adb94a3e449acbeeb [0,1,1,0,0,0|1,0,0]=3 1067 B8R0.15 O=C(O)C(CF)NCF 3c68b2ec2d74233cffc4fb4e71bbb94b [0,1,1,0,0,0|1,0,0]=3 1068 B8R0.15 O=C(O)C(CF)NCO 8882ba16164d78cec81fe4b00fda2ae1 [0,1,1,0,0,0|1,0,0]=3 1069 B8R0.15 O=C(O)C(CO)NCF 9eea1e72a00cd3dd12c33ca4052b702a [0,1,1,0,0,0|1,0,0]=3 1070 B8R0.15 O=C(O)C(CO)NCO 81ff67930a96f8f373a876534f5a354d [0,1,1,0,0,0|1,0,0]=3 1071 B8R0.15 O=C(O)C(CS)NCF d2bcc921a07d6c66ec8feced8008b3d2 [0,1,1,0,0,0|1,0,0]=3 1072 B8R0.15 O=C(O)C(CS)NCO b3a632b39e14452fb76e40a3b45f1330 [0,1,1,0,0,0|1,0,0]=3 1073 B8R0.15 O=C(O)[C@@H](CCl)NCF 0f4882ad0f84646d0776c613bf998da9 [0,1,1,0,0,0|1,0,0]=3 1074 B8R0.15 O=C(O)[C@@H](CCl)NCO a657e82377b90be09b01db5df6746084 [0,1,1,0,0,0|1,0,0]=3 1075 B8R0.15 O=C(O)[C@@H](CF)OCF 5ca8d51c8b5d5b379a86da0372761524 [0,1,1,0,0,0|2,0,0]=4 1076 B8R0.15 O=C(O)[C@@H](CO)NCF b58ae15b4649cf9eff033a92ba589b35 [0,1,1,0,0,0|1,0,0]=3 1077 B8R0.15 O=C(O)[C@@H](CO)NCO cfec0a60446fa32f24138a7f54bc9bb8 [0,1,1,0,0,0|1,0,0]=3 1078 B8R0.15 O=C(O)[C@@H](CS)NCF f755fd948c7a145e65bf11358747b457 [0,1,1,0,0,0|1,0,0]=3 1079 B8R0.15 O=C(O)[C@@H](CS)NCO 0f499f5952378dffba3785ff4ae4c019 [0,1,1,0,0,0|1,0,0]=3 1080 B8R0.15 O=C(O)[C@H](CCl)NCF 750706009ff6f282f1ca980848f7e16b [0,1,1,0,0,0|1,0,0]=3 1081 B8R0.15 O=C(O)[C@H](CCl)NCO 45f6f42413f314b49f1c79dfa3cea815 [0,1,1,0,0,0|1,0,0]=3 1082 B8R0.15 O=C(O)[C@H](CO)NCF e3967553d1a093cbd0dce0f9d6a1e608 [0,1,1,0,0,0|1,0,0]=3 1083 B8R0.15 O=C(O)[C@H](CO)NCO 08a1cdec07261d180e41b733dfd606d7 [0,1,1,0,0,0|1,0,0]=3 1084 B8R0.15 O=C(O)[C@H](CS)NCF acd5dd73331d3e22705923fab1a8feaf [0,1,1,0,0,0|1,0,0]=3 1085 B8R0.15 O=C(O)[C@H](CS)NCO 1ed62aac1780461a449b2c14b61eaf37 [0,1,1,0,0,0|1,0,0]=3 1086 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,1,1,0,0,0|2,0,0]=4 1087 B8R0.23 CC(=O)NC(C)C(=O)N 69ea1b0fb4e1891bc844e1c81cd6f7ed [0,1,1,0,0,0|1,0,1]=4 1088 B8R0.23 CC(=O)N[C@@H](C)C(=O)N 1daed479b13f5a4dee80df6bef80207a [0,1,1,0,0,0|1,0,1]=4 1089 B8R0.23 CC(=O)N[C@H](C)C(=O)N d4ac5a93c8007d546d5eddc7f5fb26e4 [0,1,1,0,0,0|1,0,1]=4 1090 B8R0.23 CC(C)NC(C)C(=O)N a5bc7ca7b26f70e25af65a6a1a9f3a6a [0,1,1,0,0,0|1,0,0]=3 1091 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,1,1,0,0,0|0,0,0]=2 1092 B8R0.23 CC(C)NC(C)C(C)O 01387dcbac0883ebe4aacdad9c9a44bc [0,1,1,0,0,0|1,0,1]=4 1093 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,1,1,0,0,0|1,0,0]=3 1094 B8R0.23 CC(C)N[C@@H](C)C(=O)N 5f6838b5769e3be13957b346a9b1c5a9 [0,1,1,0,0,0|1,0,0]=3 1095 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,1,1,0,0,0|0,0,0]=2 1096 B8R0.23 CC(C)N[C@H](C)C(=O)N 218299f571bd8ab6e55ebde7f90f3dc6 [0,1,1,0,0,0|1,0,0]=3 1097 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,1,1,0,0,0|0,0,0]=2 1098 B8R0.23 CC(C)OC(C)C(=O)N 3cee39f49921ab19917bac674ad05970 [0,1,1,0,0,0|2,0,0]=4 1099 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,1,0,0,0|1,0,0]=3 1100 B8R0.23 CC(C)O[C@@H](C)C(=O)N 57a65b88062516ea8512ca985e4b20b1 [0,1,1,0,0,0|2,0,0]=4 1101 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,1,0,0,0|1,0,0]=3 1102 B8R0.23 CC(C)O[C@H](C)C(=O)N 15e236e43a73c1d83142b60899c44aff [0,1,1,0,0,0|2,0,0]=4 1103 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,1,0,0,0|1,0,0]=3 1104 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [1,1,0,0,0,0|2,0,0]=4 1105 B8R1.1 O=CN1CCC(C1)F 96284cdc191c7cba11f6a402b8eb117c [1,1,0,0,0,0|2,0,0]=4 1106 B8R1.1 O=CN1CCC(C1)O 36bb47eb3389f04fbd153dabfa4995ad [1,1,0,0,0,0|2,0,0]=4 1107 B8R1.1 O=CN1CC[C@@H](C1)F 008cec7e125285aba69bdec89e8d8fbf [1,1,0,0,0,0|2,0,0]=4 1108 B8R1.1 O=CN1CC[C@@H](C1)O 75171cfcb992bb0c611e45c07ca0c61c [1,1,0,0,0,0|2,0,0]=4 1109 B8R1.1 O=CN1CC[C@H](C1)F 27a4a903f78fd10dcf90e00458f77a70 [1,1,0,0,0,0|2,0,0]=4 1110 B8R1.1 O=CN1CC[C@H](C1)O 4d35040bdf5a1607b14717edf31c1dc0 [1,1,0,0,0,0|2,0,0]=4 1111 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [1,1,0,0,0,0|1,0,0]=3 1112 B8R1.8 O=CNC1CCOC1 e7b13204a0b810870373335ae06b13c2 [1,1,0,0,0,0|2,0,0]=4 1113 B8R1.8 O=CNC1CCSC1 82c5edb5966e6ade7f67bb51f82f09ea [1,1,0,0,0,0|2,0,0]=4 1114 B8R1.8 O=CN[C@@H]1CCOC1 8b6fe9f11693342d0eb8e36d1ad51ff3 [1,1,0,0,0,0|2,0,0]=4 1115 B8R1.8 O=CN[C@H]1CCOC1 f295aedd4a6355b7f9c423148debde31 [1,1,0,0,0,0|2,0,0]=4 1116 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [1,1,0,0,0,0|1,0,1]=4 1117 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [1,1,0,0,0,0|2,0,0]=4 1118 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [1,1,0,0,0,0|2,0,0]=4 1119 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [1,1,0,0,0,0|2,0,0]=4 1120 B8R1.11 O=CN1CCCC1O a26ec465eebf98c295c9d7f5c4bb6e0a [1,1,0,0,0,0|2,0,0]=4 1121 B8R1.23 CC(=O)N1CC(C1)F cba0abc01d5766c34fe5531513946933 [0,1,0,0,1,0|2,0,0]=4 1122 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,1,0,0,1,0|2,0,0]=4 1123 B8R1.38 C#CC(=O)N1CCC1 ee88789ac1776648008850b2a3fc2fcb [0,1,0,0,1,0|2,0,0]=4 1124 B8R1.38 C=CC(=O)N1CCC1 d0139f7b17a74aad2f7c1656c4595cf8 [0,1,0,0,1,0|2,0,0]=4 1125 B8R1.38 CCC(=O)N1CCC1 d52503cf4cfc194127f664b5bcf57565 [0,1,0,0,1,0|2,0,0]=4 1126 B8R1.38 CN(CO)C1CCC1 a870c0945f9b171d7c0b452eacea3131 [0,1,0,0,1,0|2,0,0]=4 1127 B8R1.38 O=C(CF)N1CCC1 e1631cac567168a725b0163e106fbfc3 [0,1,0,0,1,0|2,0,0]=4 1128 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,1,0,0,1,0|1,0,0]=3 1129 B8R1.38 O=C(CS)N1CCC1 483ef26b984ed24bd38f07147cc524a3 [0,1,0,0,1,0|1,1,0]=4 1130 B8R1.38 O=CC(=O)N1CCC1 3cd44a972429668a2e301e83de6705a9 [0,1,0,0,1,0|1,0,1]=4 1131 B10R1.15 O=C(CO)N1CCCOC1 356d5ebd2a26ebd5ce9a8b93c2ebc036 [0,1,0,0,0,1|2,0,0]=4 1132 B10R1.15 O=C(CO)N1CCCSC1 b3a1ef3f67b506bb82e52bfb4f1aabbe [0,1,0,0,0,1|2,0,0]=4 1133 B10R1.15 O=C(CO)N1CCOCC1 170561a416d3284eb51d6b562696d99e [0,1,0,0,0,1|2,0,0]=4 1134 B10R1.15 O=C(CO)N1CCSCC1 9ff8ebad9843e177a4cae3acc661bc59 [0,1,0,0,0,1|2,0,0]=4 1135 B10R1.23 CC(=O)N(C)C1CCCC1 37a3ae82d72cb34070af60e7d609e543 [0,1,0,0,0,1|2,0,0]=4 1136 B10R1.27 C#CC(=O)NC1CCCC1 de9db58801a77dd87541b7b97e98096f [0,1,0,0,0,1|2,0,0]=4 1137 B10R1.27 C=C(C=O)OC1CCCC1 aa71e1acb4595ccfa91bdf03ff01b1cc [0,1,0,0,0,1|2,0,0]=4 1138 B10R1.27 C=CC(=O)NC1CCCC1 84416e68d7a2d3622f40e0d6fa2a4911 [0,1,0,0,0,1|2,0,0]=4 1139 B10R1.27 CCC(=O)NC1CCCC1 ad0e329a839e42fb4e68b66bf7fc6efa [0,1,0,0,0,1|2,0,0]=4 1140 B10R1.27 O=C(CF)NC1CCCC1 7def253a7d58d7abaf0b2c052c6b4bd2 [0,1,0,0,0,1|2,0,0]=4 1141 B10R1.27 O=C(CO)NC1CCCC1 a2af8330b212ec9a8ca0312ee053bb08 [0,1,0,0,0,1|1,0,0]=3 1142 B10R1.27 O=C(CO)NC1CCOC1 da3328a3326718ab84da48dbdce512b6 [0,1,0,0,0,1|2,0,0]=4 1143 B10R1.27 O=C(CO)NC1CCSC1 434d62499df8000b95e4d641799beba3 [0,1,0,0,0,1|2,0,0]=4 1144 B10R1.27 O=C(CO)N[C@@H]1CCOC1 3e1bdc77aa678067b9bc110730f6411f [0,1,0,0,0,1|2,0,0]=4 1145 B10R1.27 O=C(CO)N[C@H]1CCOC1 0f500b702bc6a6a7c1ac309f8f75c5cb [0,1,0,0,0,1|2,0,0]=4 1146 B10R1.27 O=C(CS)NC1CCCC1 e18c16444a3ea35ed584a201cdde414c [0,1,0,0,0,1|1,1,0]=4 1147 B10R1.27 O=CC(=O)NC1CCCC1 5ff796fc3e93b42e9b485fd305c2093a [0,1,0,0,0,1|1,0,1]=4 1148 B10R1.54 CC(=O)NC1CCC(C1)C 1662f3e59706b2e0b9c86006d2f191db [0,1,0,0,0,1|2,0,0]=4 1149 B10R1.54 CC(=O)NC1CCC(C1)O 8df0ebcee037b9fdc688d44933d4c3db [0,1,0,0,0,1|2,0,0]=4 1150 B10R1.54 CC(=O)N[C@@H]1CC[C@@H](C1)O bd5d5487a5426aee6c8b85f7d6a82f6d [0,1,0,0,0,1|2,0,0]=4 1151 B10R1.54 CC(=O)N[C@@H]1CC[C@H](C1)O e9b3bd4a14f9308205f6e539850076b4 [0,1,0,0,0,1|2,0,0]=4 1152 B10R1.54 CC(=O)N[C@H]1CC[C@@H](C1)O 9699b4c6ebe806fb645f613f502422f4 [0,1,0,0,0,1|2,0,0]=4 1153 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O aee6acb4424af3e957060a2ce53ddcc8 [0,1,0,0,0,1|2,0,0]=4 1154 B10R1.54 CC1CCN(C1)CC(=O)O b8d9f8f8dd4347c0af06b75515184c73 [0,1,0,0,0,1|2,0,0]=4 1155 B10R1.54 O=C(O)CN1CCC(C1)F 8acb16772e9ca4b2fe51bb421d4b8cd1 [0,1,0,0,0,1|2,0,0]=4 1156 B10R1.54 O=C(O)CN1CCC(C1)O ca37e06cd9b7bbc71af271599b998364 [0,1,0,0,0,1|2,0,0]=4 1157 B10R1.54 O=C(O)CN1CC[C@@H](C1)F b63040360648721ff37994670a246244 [0,1,0,0,0,1|2,0,0]=4 1158 B10R1.54 O=C(O)CN1CC[C@@H](C1)O 98ba8f6e2d76ff3f4a27413121dc0ae0 [0,1,0,0,0,1|2,0,0]=4 1159 B10R1.54 O=C(O)CN1CC[C@H](C1)F 0119a3497e2de6992352b92152178c3f [0,1,0,0,0,1|2,0,0]=4 1160 B10R1.54 O=C(O)CN1CC[C@H](C1)O 2f6697dc2fac174cd8c2c51863fd57de [0,1,0,0,0,1|2,0,0]=4 1161 B10R1.64 CC(=O)NC1CCCC1O 59e0220d30c5d89a7bc774bdd7119d12 [0,1,0,0,0,1|2,0,0]=4 1162 B10R1.64 CC(=O)N[C@@H]1CCC[C@@H]1O 8cb67225b4b66d60c05cf19cee1f81da [0,1,0,0,0,1|2,0,0]=4 1163 B10R1.64 CC(=O)N[C@@H]1CCC[C@H]1O b09f4c2f2b9433d14ce51c1d506ae9e8 [0,1,0,0,0,1|2,0,0]=4 1164 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O e6a6e3adb2cb556e3a04e433a4ca013c [0,1,0,0,0,1|2,0,0]=4 1165 B10R1.64 CC(=O)N[C@H]1CCC[C@H]1O d54340e665e803c30264a16ad0e57d91 [0,1,0,0,0,1|2,0,0]=4 1166 B10R1.64 CC1CCCN1CC(=O)O 71eb304a1d401775d27fc0753a674b0b [0,1,0,0,0,1|2,0,0]=4 1167 B10R1.64 C[C@@H]1CCCN1CC(=O)O 9b818000ca3132ec26b67b1ab81d55f9 [0,1,0,0,0,1|2,0,0]=4 1168 B10R1.64 C[C@H]1CCCN1CC(=O)O 64061d78ea2e51d3ac2a9c61feca08be [0,1,0,0,0,1|2,0,0]=4 1169 B10R1.64 O=C(O)CN1CCCC1O ec57a92bef094a920e205f26c4cd66bf [0,1,0,0,0,1|2,0,0]=4 1170 B10R1.11 N#CNC(=O)C1CCCO1 c77f524e729bdf56e76fa81e81b1f071 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.11 N#CNC(=O)[C@@H]1CCCO1 8560a0a44932a460aa366d0c5bcc1b86 [0,2,0,0,0,0|2,0,0]=4 1172 B10R1.11 N#CNC(=O)[C@H]1CCCO1 907e19d9d482bee0bf47d4ba0b049e1f [0,2,0,0,0,0|2,0,0]=4 1173 B10R1.14 CC1CCN(C1)C(=O)CO 7aaa36349c5fd51854587f309c23a605 [0,2,0,0,0,0|2,0,0]=4 1174 B10R1.14 O=C(CO)N1CCC(C1)F ffcbd6066d8853204de6edc6323f6307 [0,2,0,0,0,0|2,0,0]=4 1175 B10R1.14 O=C(CO)N1CCC(C1)O 7f27d2b9c9bd94cb6fc116608dfac6a5 [0,2,0,0,0,0|2,0,0]=4 1176 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 35b233b69d1462d9dcee1f30b82f09e8 [0,2,0,0,0,0|2,0,0]=4 1177 B10R1.14 O=C(CO)N1CC[C@@H](C1)O 38e45102805154f04ea78a5b2158c290 [0,2,0,0,0,0|2,0,0]=4 1178 B10R1.14 O=C(CO)N1CC[C@H](C1)F bdcc80ecad014d72452a5a1dce51a1b3 [0,2,0,0,0,0|2,0,0]=4 1179 B10R1.14 O=C(CO)N1CC[C@H](C1)O 51267dc4440ffce046950541a0c315e4 [0,2,0,0,0,0|2,0,0]=4 1180 B10R1.149 CC1CCCN1C(=O)CO 3fc83f9dfd3319fc46c49bcb17d36319 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.149 C[C@@H]1CCCN1C(=O)CO dc4e2b62c41392defae704e10426acc2 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.149 C[C@H]1CCCN1C(=O)CO 67931ca57a2e88071d87b599f3b86e38 [0,2,0,0,0,0|2,0,0]=4 1183 B10R1.149 O=C(CO)N1CCCC1O cf815b3f2dfa22a1023ee08f30d00256 [0,2,0,0,0,0|2,0,0]=4 1184 B10R1.31 CCN1CCC(C1)C(=O)O c6ab06b42eb214fd7bf4d162e9cf09ca [0,2,0,0,0,0|2,0,0]=4 1185 B10R1.31 CCN1CC[C@@H](C1)C(=O)O f470b10a1439f229c4fd1d97ea38dce4 [0,2,0,0,0,0|2,0,0]=4 1186 B10R1.31 CCN1CC[C@H](C1)C(=O)O 6fcabbaec4e96b21d63b1d5e1ab6c74e [0,2,0,0,0,0|2,0,0]=4 1187 B10R1.31 O=C(O)C1CCN(C1)CF ca49f253d96e894c5c6ee2f9d13c4de5 [0,2,0,0,0,0|2,0,0]=4 1188 B10R1.31 O=C(O)C1CCN(C1)CO 9300646053b94cc353f09fdc9345497f [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.31 O=C(O)[C@@H]1CCN(C1)CF 2f3d6ca490a773ab169d9af98e7ed460 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.31 O=C(O)[C@@H]1CCN(C1)CO bf06be6b9efe2069a6495bd2c9a12715 [0,2,0,0,0,0|2,0,0]=4 1191 B10R1.31 O=C(O)[C@H]1CCN(C1)CF 95efba9fbb33e72c433e3d9c27f2b450 [0,2,0,0,0,0|2,0,0]=4 1192 B10R1.31 O=C(O)[C@H]1CCN(C1)CO d23a4c9f680bddafc9f654313a160825 [0,2,0,0,0,0|2,0,0]=4 1193 B10R1.39 CC(O)C1CCCN1C=O 54d2b2f19dd5fa36926cb86035a8a71f [0,2,0,0,0,0|1,0,1]=4 1194 B10R1.39 CC(O)C1CCCN1CF 0546b2d1df40ff4887fde98f2815452d [0,2,0,0,0,0|1,0,1]=4 1195 B10R1.39 CC(O)C1CCCN1CO 83fe6047ebc1e59fa1c9c052bf061802 [0,2,0,0,0,0|1,0,1]=4 1196 B10R1.39 CC(O)[C@H]1CCCN1C=O 5e8a1661e892d22efa8c886306ca6956 [0,2,0,0,0,0|1,0,1]=4 1197 B10R1.39 CC(O)[C@H]1CCCN1CF eb4efec9fcc9db71e804b9c24e85a56b [0,2,0,0,0,0|1,0,1]=4 1198 B10R1.39 CC(O)[C@H]1CCCN1CO 1c92bff9f377feab4810d8dd54dada02 [0,2,0,0,0,0|1,0,1]=4 1199 B10R1.39 CCN1CC=CC1C(=O)O 89bda72f1795ce7a5213b1771e1a2eff [0,2,0,0,0,0|0,0,2]=4 1200 B10R1.39 CCN1CC=C[C@H]1C(=O)O 1bffb48288adbee6e99329e108e2b55e [0,2,0,0,0,0|0,0,2]=4 1201 B10R1.39 CCN1CCCC1C(=O)N e3638aebd20ecc50fb364eeffd06aad6 [0,2,0,0,0,0|1,0,0]=3 1202 B10R1.39 CCN1CCCC1C(=O)O c3983076958b8fb46558aab447120d49 [0,2,0,0,0,0|0,0,0]=2 1203 B10R1.39 CCN1CCCC1C(C)O 2fe3ff32d123d261dc32a6b4f6dd875a [0,2,0,0,0,0|1,0,1]=4 1204 B10R1.39 CCN1CCC[C@@H]1C(=O)N c904ceb8698f14197bc2e2ed45042711 [0,2,0,0,0,0|1,0,0]=3 1205 B10R1.39 CCN1CCC[C@@H]1C(=O)O 349d3c609c75982b622124f07b341c44 [0,2,0,0,0,0|0,0,0]=2 1206 B10R1.39 CCN1CCC[C@@H]1C(C)O 2fcc2db5a9ea947bbbe3b9ddb7004abd [0,2,0,0,0,0|1,0,1]=4 1207 B10R1.39 CCN1CCC[C@H]1C(=O)N 5dfa8ecf2b36963e9bcf6d81738e87bd [0,2,0,0,0,0|1,0,0]=3 1208 B10R1.39 CCN1CCC[C@H]1C(=O)O cf8e675da710a8a6e34bef600c46b98f [0,2,0,0,0,0|0,0,0]=2 1209 B10R1.39 CCN1CCC[C@H]1[C@H](C)O d149234dfbaffe72611b5ed16adf7902 [0,2,0,0,0,0|1,0,1]=4 1210 B10R1.39 CCN1CCSC1C(=O)O 23a71743abd51412d8c2f2a54d122163 [0,2,0,0,0,0|1,0,0]=3 1211 B10R1.39 CCN1CSCC1C(=O)O 9d58ce7de7d6dc337784b1a458991004 [0,2,0,0,0,0|1,0,0]=3 1212 B10R1.39 CCN1CSC[C@@H]1C(=O)O 62a29e6620e574cccad9193dfa1f259a [0,2,0,0,0,0|1,0,0]=3 1213 B10R1.39 CCN1CSC[C@H]1C(=O)O c44babec2d6380179adcb6ad018902f6 [0,2,0,0,0,0|1,0,0]=3 1214 B10R1.39 C[C@H](O)[C@@H]1CCCN1C=O 99ef340b506fc5d9c4d43472ebbb0561 [0,2,0,0,0,0|1,0,1]=4 1215 B10R1.39 C[C@H](O)[C@@H]1CCCN1CF f122ef35ea7a586c78a7f4b4e232521f [0,2,0,0,0,0|1,0,1]=4 1216 B10R1.39 C[C@H](O)[C@@H]1CCCN1CO d7a77f352d3c91a31bc7a2f688a0b2ba [0,2,0,0,0,0|1,0,1]=4 1217 B10R1.39 NC(=O)C1CCCN1C=O 4ee2ef308d397dcdee78bbb56404848e [0,2,0,0,0,0|1,0,0]=3 1218 B10R1.39 NC(=O)C1CCCN1CF 42364bf3efa4f733bbeea2eac179e186 [0,2,0,0,0,0|1,0,0]=3 1219 B10R1.39 NC(=O)C1CCCN1CO 798b53a860086bd46413e83881150d01 [0,2,0,0,0,0|1,0,0]=3 1220 B10R1.39 NC(=O)[C@@H]1CCCN1C=O 9cf3f2e767ec7317f9a12f5a38082e5c [0,2,0,0,0,0|1,0,0]=3 1221 B10R1.39 NC(=O)[C@@H]1CCCN1CF 5b6e560b5ed03c2cc3ba75bcf9aafe65 [0,2,0,0,0,0|1,0,0]=3 1222 B10R1.39 NC(=O)[C@@H]1CCCN1CO ff51148b59c35835bbeab3b8f5088f9f [0,2,0,0,0,0|1,0,0]=3 1223 B10R1.39 NC(=O)[C@H]1CCCN1C=O 4c2f4ccd033439cdafc7813b7215ba00 [0,2,0,0,0,0|1,0,0]=3 1224 B10R1.39 NC(=O)[C@H]1CCCN1CF 7b625afccb6ca0677b1ebd9c8280efe2 [0,2,0,0,0,0|1,0,0]=3 1225 B10R1.39 NC(=O)[C@H]1CCCN1CO 883914c0be6a7acbf4e6e7118ba7a0fc [0,2,0,0,0,0|1,0,0]=3 1226 B10R1.39 O=C(O)C1C=CCN1CF b051e141f32c1406105e71fd28ed1236 [0,2,0,0,0,0|0,0,2]=4 1227 B10R1.39 O=C(O)C1C=CCN1CO 13e71b629cf749e39c62fa6691de0d11 [0,2,0,0,0,0|0,0,2]=4 1228 B10R1.39 O=C(O)C1CCCN1CF 2df1b628c3ddddb71f4d9897e6b47849 [0,2,0,0,0,0|0,0,0]=2 1229 B10R1.39 O=C(O)C1CCCN1CO 7f02135e9c4c82c9ed8efa6b28dba1a4 [0,2,0,0,0,0|0,0,0]=2 1230 B10R1.39 O=C(O)C1CSCN1CF e280dce981ae51d0065753b840b39952 [0,2,0,0,0,0|1,0,0]=3 1231 B10R1.39 O=C(O)C1CSCN1CO 2106acef386e3a50e95413bdf5d796ef [0,2,0,0,0,0|1,0,0]=3 1232 B10R1.39 O=C(O)C1SCCN1CF d857bdccd90e1a451a9ff359b0359df7 [0,2,0,0,0,0|1,0,0]=3 1233 B10R1.39 O=C(O)C1SCCN1CO 6660fe84f679d9f0e1c6807e92c798fa [0,2,0,0,0,0|1,0,0]=3 1234 B10R1.39 O=C(O)[C@@H]1C=CCN1CF d9b553fc0366832943e7322132028dbf [0,2,0,0,0,0|0,0,2]=4 1235 B10R1.39 O=C(O)[C@@H]1C=CCN1CO 62b0f7bdda4b7c1d2befb4f114cf8c63 [0,2,0,0,0,0|0,0,2]=4 1236 B10R1.39 O=C(O)[C@@H]1CCCN1CF a758da829a884a388b4dac859185ee61 [0,2,0,0,0,0|0,0,0]=2 1237 B10R1.39 O=C(O)[C@@H]1CCCN1CO ab593d24831e51749594a3241b86071f [0,2,0,0,0,0|0,0,0]=2 1238 B10R1.39 O=C(O)[C@@H]1CSCN1CF 9197deef9b38df9dfc6ff97e22793010 [0,2,0,0,0,0|1,0,0]=3 1239 B10R1.39 O=C(O)[C@@H]1CSCN1CO 9e15b3f0ca59bb5648e96edeed1ab489 [0,2,0,0,0,0|1,0,0]=3 1240 B10R1.39 O=C(O)[C@H]1CCCN1CF b1270dfad6d1aac80c0fd1f1ac2f6f0d [0,2,0,0,0,0|0,0,0]=2 1241 B10R1.39 O=C(O)[C@H]1CCCN1CO cbdfa18e1cbf673fbc79c7d3904d4492 [0,2,0,0,0,0|0,0,0]=2 1242 B10R1.39 O=C(O)[C@H]1CSCN1CF e74629e6ec47004dabdb153ad5f5dd02 [0,2,0,0,0,0|1,0,0]=3 1243 B10R1.39 O=C(O)[C@H]1CSCN1CO e89e2cd6d57a419293f0a445a727e832 [0,2,0,0,0,0|1,0,0]=3 1244 B8R1.6 CCCN1CC(C1)O 6960d1c76fc6bee2104d2cc7da6d53cb [0,0,1,1,0,0|1,0,1]=4 1245 B8R1.34 C=C(Br)CN1CCC1 7d3a102b87bb1acf8da9022a99ebcbd5 [0,0,1,1,0,0|2,0,0]=4 1246 B8R1.34 C=C(C)CN1CCC1 19d6aea172318893485802428f6f2b52 [0,0,1,1,0,0|2,0,0]=4 1247 B8R1.34 C=C(Cl)CN1CCC1 6c2deac25cc4e1ee5b95bcb9cd622604 [0,0,1,1,0,0|2,0,0]=4 1248 B8R1.34 C=C(F)CN1CCC1 fe164e55c21cafabdc640e829c7e1a4f [0,0,1,1,0,0|2,0,0]=4 1249 B8R1.34 CC(O)CN1CCC1 c968b76b6db8bde6dbcca9aa6b0299d6 [0,0,1,1,0,0|1,0,1]=4 1250 B8R1.34 C[C@@H](O)CN1CCC1 b5f2cf9878abeb4a8a834874c79174e7 [0,0,1,1,0,0|1,0,1]=4 1251 B8R1.34 C[C@H](O)CN1CCC1 199f11a3ece69c3aaaa8b0f1f376d79b [0,0,1,1,0,0|1,0,1]=4 1252 B8R1.34 NC(=O)CN1CCC1 6c3508be38699fc0f43e1dd694ce2a15 [0,0,1,1,0,0|1,0,0]=3 1253 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,0,1,1,0,0|0,0,0]=2 1254 B8R1.34 O=[N+]([O-])CN1CCC1 18e2c74ccfcdc6627c3c54edac6e5c7b [0,0,1,1,0,0|1,0,1]=4 1255 B8R1.35 C=C(Br)CNC1CC1 2f516375f9ddc5ad56210b340257c5d3 [0,0,1,1,0,0|2,0,0]=4 1256 B8R1.35 C=C(C)CNC1CC1 d7b88e809441d579b0399cecfd2ac93a [0,0,1,1,0,0|2,0,0]=4 1257 B8R1.35 C=C(Cl)CNC1CC1 860c5e4f08e3ea3eee595b4e8f44ee50 [0,0,1,1,0,0|2,0,0]=4 1258 B8R1.35 C=C(F)CNC1CC1 211b2ea4bdf3016e6154350d05034cd4 [0,0,1,1,0,0|2,0,0]=4 1259 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,0,1,1,0,0|1,0,0]=3 1260 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,0,1,1,0,0|2,0,0]=4 1261 B8R1.35 CC(O)CNC1CC1 b9f250bd72bb55f49d088ac67e0cb3d1 [0,0,1,1,0,0|1,0,1]=4 1262 B8R1.35 C[C@@H](O)CNC1CC1 d465ff1ec8c8ef18904ed72be45bd6db [0,0,1,1,0,0|1,0,1]=4 1263 B8R1.35 C[C@H](O)CNC1CC1 689794ac138a6a9d1241373cb177f81d [0,0,1,1,0,0|1,0,1]=4 1264 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,0,1,1,0,0|1,0,0]=3 1265 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,0,1,1,0,0|2,0,0]=4 1266 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,0,1,1,0,0|0,0,0]=2 1267 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,0,1,1,0,0|1,0,0]=3 1268 B8R1.35 O=S(O)COC1CC1 85bbc60ec3a8ee46735b8745b51b860d [0,0,1,1,0,0|2,0,0]=4 1269 B8R1.35 O=[N+]([O-])CNC1CC1 e1fb95192d4e5a6402b5be124e4d11d5 [0,0,1,1,0,0|1,0,1]=4 1270 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,0,1,1,0,0|1,0,1]=4 1271 B8R1.13 CCNC1COC1C 374ee97892517da30cf5002a479f4531 [0,0,1,1,0,0|1,0,1]=4 1272 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,0,1,1,0,0|1,0,1]=4 1273 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,0,1,1,0,0|1,0,1]=4 1274 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,0,1,1,0,0|1,0,1]=4 1275 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,0,1,1,0,0|1,0,1]=4 1276 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,0,1,1,0,0|1,0,0]=3 1277 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,0,1,1,0,0|2,0,0]=4 1278 B8R1.13 O=C1NC[C@@H]1NCF 0d76b77004abe2bde2fffde83ac370da [0,0,1,1,0,0|2,0,0]=4 1279 B8R1.13 O=C1NC[C@@H]1NCO 13e7ef24d5bda6a447193e9ab8c1b3ed [0,0,1,1,0,0|2,0,0]=4 1280 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,0,1,0|1,0,0]=3 1281 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [1,0,0,0,1,0|1,0,1]=4 1282 B8R0.16 CCC(CC)NC(=O)C 4ed89f720f0f05324cf79f8a98baf869 [0,0,1,0,0,1|2,0,0]=4 1283 B8R0.16 CCN(CC)CC(=O)O 6fed7892c18c8ce9f89dfe191b146fca [0,0,1,0,0,1|2,0,0]=4 1284 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [1,0,0,0,0,1|2,0,0]=4 1285 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [1,0,0,0,0,1|2,0,0]=4 1286 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [1,0,0,0,0,1|2,0,0]=4 1287 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [1,0,0,0,0,1|2,0,0]=4 1288 B10R1.18 CC(=O)NC1C=CCCC1 1d5ddd958afbd2a3a6ae98a719be40e7 [0,0,0,0,0,2|2,0,0]=4 1289 B10R1.18 CC(=O)NC1CCCOC1 4f95e852cc2bfb0219aae46495afcede [0,0,0,0,0,2|2,0,0]=4 1290 B10R1.18 CC(=O)NC1CCOCC1 b8a9513c5c3615ab522c7c4bba9e7be0 [0,0,0,0,0,2|2,0,0]=4 1291 B10R1.18 CC(=O)NC1CCSCC1 532c6db35a0b9f3a89303777aedbda02 [0,0,0,0,0,2|2,0,0]=4 1292 B10R1.18 CC(=O)N[C@@H]1CCCOC1 52485d58eafbf3c79fc267d807120eb6 [0,0,0,0,0,2|2,0,0]=4 1293 B10R1.18 CC(=O)N[C@H]1CCCOC1 e380151c69e874f737c0bf1b7124947f [0,0,0,0,0,2|2,0,0]=4 1294 B10R1.18 O=C(O)CN1CCCOC1 276c9e6db5c50efdf0013ee255981aea [0,0,0,0,0,2|2,0,0]=4 1295 B10R1.18 O=C(O)CN1CCCSC1 969c23a84a85279fbc953810ec4f4635 [0,0,0,0,0,2|2,0,0]=4 1296 B10R1.18 O=C(O)CN1CCOCC1 71b10415ca7d674c1df6add3bdabacae [0,0,0,0,0,2|2,0,0]=4 1297 B10R1.18 O=C(O)CN1CCSCC1 71c83e558b9a1fa155bf6e87dce077b1 [0,0,0,0,0,2|2,0,0]=4 1298 B10R1.66 CC(=O)CNC1CCCC1 982a895596cb411344b5d5d1059736c0 [0,0,0,0,0,2|2,0,0]=4 1299 B10R1.66 CC(=O)COC1CCCC1 b4a4ed405f24170df2e680b9b91276af [0,0,0,0,0,2|2,0,0]=4 1300 B10R1.66 CC(=O)NCC1CCCC1 4b033df2d5e9c8dc815e6cf1e844965d [0,0,0,0,0,2|2,0,0]=4 1301 B10R1.66 CC(=O)NCC1CCCO1 d796e1bcbe3ecee47a944fbd2b1407c2 [0,0,0,0,0,2|2,0,0]=4 1302 B10R1.66 CC(=O)NC[C@@H]1CCCO1 10aff43ea33a655572bc7f4810244226 [0,0,0,0,0,2|2,0,0]=4 1303 B10R1.66 CC(=O)NC[C@H]1CCCO1 c97b710d0be598ef27ac8c5431018722 [0,0,0,0,0,2|2,0,0]=4 1304 B10R1.66 NC(=O)CNC1CCCC1 9c36273e943c132bbefd74db949ab45f [0,0,0,0,0,2|2,0,0]=4 1305 B10R1.66 NC(=O)COC1CCCC1 d7b7d33efe873067a8b31f32069e40fe [0,0,0,0,0,2|2,0,0]=4 1306 B10R1.66 NC(=O)COC1CCCO1 572c264c8f8acc8112572869238c174e [0,0,0,0,0,2|2,0,0]=4 1307 B10R1.66 O=C(O)CNC1CCCC1 fb567dda9f1fcebaac0043a4fd3325ce [0,0,0,0,0,2|1,0,0]=3 1308 B10R1.66 O=C(O)CNC1CCOC1 4ccadd048e05caef0aa0224309a71ab9 [0,0,0,0,0,2|2,0,0]=4 1309 B10R1.66 O=C(O)CNC1CCSC1 cc711451681d5deb60a93f003c75abe6 [0,0,0,0,0,2|2,0,0]=4 1310 B10R1.66 O=C(O)CN[C@@H]1CCOC1 409924f0dc5c5a1e485257d0c382bb7d [0,0,0,0,0,2|2,0,0]=4 1311 B10R1.66 O=C(O)CN[C@H]1CCOC1 bb7abf04bc34989947c2e061f8225296 [0,0,0,0,0,2|2,0,0]=4 1312 B10R1.66 O=C(O)COC1C=CCC1 516af6899b9a378445553ab94f04bd0f [0,0,0,0,0,2|1,0,1]=4 1313 B10R1.66 O=C(O)COC1CCCC1 5d3de03f73830ac26dc91c46fa3d4104 [0,0,0,0,0,2|1,0,0]=3 1314 B10R1.66 O=C(O)COC1CCCO1 9af41fcd5b2bf45f089ffbb228468f59 [0,0,0,0,0,2|1,0,0]=3 1315 B10R1.66 O=C(O)COC1CCOC1 c00a0816f6af3a6b09957548ac53c261 [0,0,0,0,0,2|2,0,0]=4 1316 B10R1.66 O=C(O)COC1CCSC1 caf5157f4ef4575a7421435e1146be8d [0,0,0,0,0,2|2,0,0]=4 1317 B10R1.66 O=C(O)CO[C@@H]1CCOC1 40244ec714f8851edd84a85a39a537dc [0,0,0,0,0,2|2,0,0]=4 1318 B10R1.66 O=C(O)CO[C@@H]1CCSC1 3f3ccc7956dc20f5c5ac4f02583eda03 [0,0,0,0,0,2|2,0,0]=4 1319 B10R1.66 O=C(O)CO[C@H]1CCOC1 c198688958ecea1c8118006934dbb8ea [0,0,0,0,0,2|2,0,0]=4 1320 B10R1.66 O=C(O)CO[C@H]1CCSC1 d5d79b4e4ea2912843ea0f8d16269f5b [0,0,0,0,0,2|2,0,0]=4 1321 B10R1.66 O=S(O)COC1CCCC1 08b1908d1b79fff78a0acfd6877e8468 [0,0,0,0,0,2|2,0,0]=4