0 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C#CCNCC(=O)N 192103ba8fad459d76fc07062abce874 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 C#CCOCC(=O)N f47bf366ca2d3d6c4b78dcc521793da1 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,0,0,0,0,0|1,0,2]=3 7 B7R0.4 C#CCOCS(=O)O 461253e78134dc3f8ca81d83bd120613 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.4 C=C(Br)CCOCF ea4ba58a0dda0d4ff610398e2a49e354 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.4 C=C(Br)CNCCBr a2af0ee62ca630ae997fcbeaeff3ecd2 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.4 C=C(Br)CNCCF bdffe3c671a0357e35ee82ddc2a4b0c6 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.4 C=C(Br)CNCCI 4f584c60421c6beb30ceb5a392863e01 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.4 C=C(Br)CNCCO 00225027954a340a3118d5c001a92b30 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.4 C=C(Br)CNCCS dca08c6fd8d32a0e9dbeabff228c3836 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.4 C=C(Br)CNCOC c5da0ade2f26605ee229f8e69e435818 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.4 C=C(Br)COCCF cd028c386ab5c9854ed6d44716188962 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.4 C=C(Br)COCCS 2f018ef17191cca522d54112a5eff02e [0,0,0,0,0,0|4,0,0]=4 21 B7R0.4 C=C(Br)COCOC 07b1b57eb717a0955e8242d74555e9c9 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,0,0,0,0,0|4,0,0]=4 26 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,0,0,0,0,0|3,0,0]=3 27 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,0,0,0,0,0|4,0,0]=4 28 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,0,0,0,0,0|4,0,0]=4 31 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,0,0,0,0,0|4,0,0]=4 34 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,0,0,0,0,0|3,0,0]=3 37 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,0,0,0,0,0|4,0,0]=4 40 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.4 C=C(Cl)CNCCBr 4c903b5932a03e4f5653cd57667fc373 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.4 C=C(Cl)CNCCF d37e8a2e77cb5d4ae23c734a326ed96f [0,0,0,0,0,0|4,0,0]=4 44 B7R0.4 C=C(Cl)CNCCI 9ea850a83a4ec71e5e79dc8899c3ed82 [0,0,0,0,0,0|4,0,0]=4 45 B7R0.4 C=C(Cl)CNCCO 6a611a7eb068d7dde6e67ecabe81bad2 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.4 C=C(Cl)CNCCS c3d4b5e9deb92301fa96d0a10ab7e0a9 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.4 C=C(Cl)COCCF bfeec13c0fc32fddad28bd44930cedd4 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.4 C=C(Cl)COCCS bed65824f0d2b594a8ec24439f554b14 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.4 C=C(Cl)COCOC e9c971b961a0dc4c5fdf312f58d6132b [0,0,0,0,0,0|4,0,0]=4 51 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.4 C=C(F)CNCCBr a95231baef5e5cc0c38c7177c04d4cb2 [0,0,0,0,0,0|4,0,0]=4 53 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,0,0,0,0,0|3,0,0]=3 54 B7R0.4 C=C(F)CNCCF 3c9599d455fab8f8b1b7798a035b518b [0,0,0,0,0,0|4,0,0]=4 55 B7R0.4 C=C(F)CNCCI 3acf03f3fc80bbf3bcc0b632080eb4d2 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.4 C=C(F)CNCCO 9267c34bfc2d6383ea073c0636587814 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.4 C=C(F)CNCCS 93ef00bb86767141facd92bc2b3d3770 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.4 C=C(F)COCCF b7eb1549e162ff12acf84ad5b4d7b85c [0,0,0,0,0,0|4,0,0]=4 60 B7R0.4 C=C(F)COCCS 6f04acbd4df5b3ab276bec02cf9e105d [0,0,0,0,0,0|4,0,0]=4 61 B7R0.4 C=C(F)COCOC 22d1787a226644b1c135149de6654075 [0,0,0,0,0,0|4,0,0]=4 62 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,0,0,0,0,0|4,0,0]=4 63 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,0,0,0,0,0|3,0,0]=3 64 B7R0.4 C=C(I)COCCF a7f60a4ec955fff2b06cd1137598c7d9 [0,0,0,0,0,0|4,0,0]=4 65 B7R0.4 C=C(I)COCCS 5fc097c1866a8915a26e31c2327c798c [0,0,0,0,0,0|4,0,0]=4 66 B7R0.4 C=C(I)COCOC ab47bd677ec4bd30c526b4cd90bad9b3 [0,0,0,0,0,0|4,0,0]=4 67 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,0,0,0,0,0|4,0,0]=4 68 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,0,0,0,0,0|2,0,2]=4 69 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,0,0,0,0,0|1,0,2]=3 72 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,0,0,0,0,0|1,0,2]=3 75 B7R0.4 C=CCOCS(=O)O a1ef4061d59bf78682bff1f70f194383 [0,0,0,0,0,0|2,0,2]=4 76 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [0,0,0,0,0,0|2,0,2]=4 77 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,0,0,0,0,0|3,0,0]=3 79 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,0,0,0,0,0|3,0,1]=4 80 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,0,0,0,0,0|3,0,0]=3 82 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,0,0,0,0,0|3,0,0]=3 83 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,0,0,0,0,0|3,0,0]=3 84 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,0,0,0,0,0|3,0,0]=3 87 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,0,0,0,0,0|3,0,0]=3 88 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,0,0,0,0,0|3,0,0]=3 90 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,0,0,0,0,0|3,0,0]=3 91 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,0,0,0,0,0|4,0,0]=4 92 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [0,0,0,0,0,0|3,0,1]=4 94 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [0,0,0,0,0,0|3,0,1]=4 100 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,0,0,0,0,0|2,0,2]=4 101 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,0,0,0,0,0|2,0,0]=2 102 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,0,0,0,0,0|3,0,1]=4 104 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,0,0,0,0,0|2,0,0]=2 105 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,0,0,0,0,0|2,0,0]=2 106 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,0,0,0,0,0|1,0,0]=1 107 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,0,0,0,0,0|2,0,1]=3 109 B7R0.4 CCCNCC(F)F 9022d4eca4bc1cbf6bdda2f9bb9ad264 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,0,0,0,0,0|2,0,1]=3 112 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,0,0,0,0,0|2,0,1]=3 113 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,0,0,0,0,0|2,0,1]=3 114 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,0,0,0,0,0|2,0,0]=2 115 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,0,0,0,0,0|2,0,0]=2 116 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,0,0,0,0,0|1,0,0]=1 117 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,0,0,0,0,0|2,1,0]=3 118 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,0,0,0,0,0|3,0,1]=4 119 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,0,0,0,0,0|2,1,1]=4 121 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [0,0,0,0,0,0|4,0,0]=4 123 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,0,0,0,0,0|2,0,0]=2 124 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,0,0,0,0,0|3,0,1]=4 125 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,0,0,0,0,0|2,0,1]=3 127 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,0,0,0,0,0|2,0,0]=2 129 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,0,0,0,0,0|1,0,0]=1 130 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,0,0,0,0,0|2,1,0]=3 131 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,0,0,0,0,0|2,0,1]=3 133 B7R0.4 CCNCCC(F)F 1930d2e5ffecbff29d9e715320f3d9d1 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.4 CCNCCN(C)C 623f50aa4be9ebc8f28d6a0c3c6ed1a7 [0,0,0,0,0,0|4,0,0]=4 135 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,0,0,0,0,0|3,0,0]=3 136 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,0,0,0,0,0|2,0,0]=2 137 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,0,0,0,0,0|2,0,1]=3 138 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,0,0,0,0,0|2,0,1]=3 139 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [0,0,0,0,0,0|3,0,1]=4 141 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [0,0,0,0,0,0|3,0,1]=4 142 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [0,0,0,0,0,0|3,0,1]=4 143 B7R0.4 CCOCC=C(Cl)Cl aa420eee9e85e57fd046661e3d34ce27 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,0,0,0,0,0|2,0,0]=2 145 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,0,0,0,0,0|2,0,0]=2 146 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,0,0,0,0,0|1,0,0]=1 147 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [0,0,0,0,0,0|3,0,1]=4 149 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,0,0,0,0,0|4,0,0]=4 150 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,0,0,0,0,0|3,0,0]=3 151 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,0,0,0,0,0|2,0,1]=3 152 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,0,0,0,0,0|3,0,0]=3 153 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,0,0,0,0,0|3,0,0]=3 154 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,0,0,0,0,0|3,0,0]=3 155 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,0,0,0,0,0|3,0,0]=3 156 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,0,0,0,0,0|3,0,0]=3 157 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,0,0,0,0,0|2,0,0]=2 158 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,0,0,0,0,0|3,0,1]=4 159 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,0,0,0,0,0|3,0,1]=4 160 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,0,0,0,0,0|3,0,0]=3 162 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,0,0,0,0,0|3,0,0]=3 163 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,0,0,0,0,0|2,0,0]=2 164 B7R0.4 COCOCC(=S)N ee294cd5168f479d523c3c4651082b74 [0,0,0,0,0,0|3,1,0]=4 165 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,0,0,0,0,0|3,0,0]=3 166 B7R0.4 COCOC[N+](=O)[O-] 54bbc30812908559dc136bad18aef36a [0,0,0,0,0,0|3,0,1]=4 167 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [0,0,0,0,0,0|4,0,0]=4 168 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [0,0,0,0,0,0|4,0,0]=4 169 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,0,0,0,0,0|4,0,0]=4 170 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,0,0,0,0,0|3,0,0]=3 171 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,0,0,0,0,0|3,0,0]=3 172 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,0,0,0,0,0|3,0,0]=3 173 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,0,0,0,0,0|2,0,0]=2 174 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,0,0,0,0,0|3,0,1]=4 177 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,0,0,0,0,0|3,0,0]=3 178 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,0,0,0,0,0|3,0,0]=3 179 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,0,0,0,0,0|2,0,0]=2 180 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [0,0,0,0,0,0|3,1,0]=4 181 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,0,0,0,0,0|3,0,0]=3 182 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [0,0,0,0,0,0|3,0,1]=4 183 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [0,0,0,0,0,0|3,0,1]=4 184 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [0,0,0,0,0,0|3,0,1]=4 185 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [0,0,0,0,0,0|3,0,1]=4 186 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [0,0,0,0,0,0|3,0,1]=4 187 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [0,0,0,0,0,0|3,0,1]=4 188 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [0,0,0,0,0,0|3,0,1]=4 191 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [0,0,0,0,0,0|3,0,1]=4 192 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [0,0,0,0,0,0|3,0,1]=4 193 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [0,0,0,0,0,0|3,0,1]=4 194 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [0,0,0,0,0,0|3,0,1]=4 195 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [0,0,0,0,0,0|3,0,1]=4 196 B7R0.4 N#CCNCC(=O)N 1b074661588ba0117e64361bcac47550 [0,0,0,0,0,0|3,0,1]=4 197 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [0,0,0,0,0,0|2,0,1]=3 198 B7R0.4 N#CCOCC(=O)N 063b71e1d1d2f59285f81ab951f41740 [0,0,0,0,0,0|3,0,1]=4 199 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,0,0,0,0,0|2,0,1]=3 200 B7R0.4 N#CCOCS(=O)O b212d5bf711bec53582e905085b60440 [0,0,0,0,0,0|3,0,1]=4 201 B7R0.4 N#CNCCC(=O)N 8dd90bc67de63e662194ecc9ed95a453 [0,0,0,0,0,0|3,0,1]=4 202 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [0,0,0,0,0,0|2,0,1]=3 203 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [0,0,0,0,0,0|3,0,1]=4 204 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,0,0,0,0,0|3,0,0]=3 205 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,0,0,0,0,0|3,0,0]=3 206 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,0,0,0,0,0|3,0,0]=3 207 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [0,0,0,0,0,0|3,0,1]=4 208 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,0,0,0,0,0|3,0,0]=3 209 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,0,0,0,0,0|3,0,0]=3 210 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,0,0,0,0,0|3,0,0]=3 211 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,0,0,0,0,0|3,0,0]=3 212 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,0,0,0,0,0|3,0,0]=3 213 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,0,0,0,0,0|3,0,1]=4 214 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,0,0,0,0,0|3,0,0]=3 215 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,0,0,0,0,0|3,0,0]=3 216 B7R0.4 NC(=O)NCOCF 223fa95252602925b8cb08f5b19a776e [0,0,0,0,0,0|4,0,0]=4 217 B7R0.4 NC(=S)CCNCF 62012331f0f1d467ca5d05133af230db [0,0,0,0,0,0|3,1,0]=4 218 B7R0.4 NC(=S)CCNCO b1a1fcd18ad0532e4bcb643182feba55 [0,0,0,0,0,0|3,1,0]=4 219 B7R0.4 NC(=S)COCCF 8a5f1604a4177fa750cc685bdfff5a09 [0,0,0,0,0,0|3,1,0]=4 220 B7R0.4 NC(=S)COCCS d0f39cb8cbdd46f7cd10195660ea1028 [0,0,0,0,0,0|3,1,0]=4 221 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,0,0,0,0,0|2,0,0]=2 222 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,0,0,0,0,0|2,0,0]=2 223 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,0,0,0,0,0|2,0,0]=2 224 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,0,0,0,0,0|2,0,0]=2 225 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,0,0,0,0,0|2,0,0]=2 226 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,0,0,0,0,0|2,0,0]=2 227 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,0,0,0,0,0|2,0,0]=2 228 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,0,0,0,0,0|2,0,0]=2 229 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,0,0,0,0,0|2,0,0]=2 230 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,0,0,0,0,0|2,0,0]=2 231 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,0,0,0,0,0|2,0,1]=3 232 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,0,0,0,0,0|2,0,1]=3 233 B7R0.4 O=CCOCS(=O)O 141d1f578b26500f644754e34ae7763f [0,0,0,0,0,0|3,0,1]=4 234 B7R0.4 O=CNCCS(=O)O 70e230477665e9d8fed41cd897568279 [0,0,0,0,0,0|3,0,1]=4 235 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [0,0,0,0,0,0|3,0,0]=3 236 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [0,0,0,0,0,0|3,0,0]=3 237 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [0,0,0,0,0,0|3,0,0]=3 238 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [0,0,0,0,0,0|3,0,0]=3 239 B7R0.4 O=[N+]([O-])CCOCF 048ee64abce7b74ac8debb2e802099ad [0,0,0,0,0,0|3,0,1]=4 240 B7R0.4 O=[N+]([O-])CNCCBr 8d7dbc08ef9e7230477a17444ab7b5ae [0,0,0,0,0,0|3,0,1]=4 241 B7R0.4 O=[N+]([O-])CNCCF 477bcadb2f3c366321e1c6b2187a7835 [0,0,0,0,0,0|3,0,1]=4 242 B7R0.4 O=[N+]([O-])CNCCI 6776c7bda5b734558507b53f175be3fd [0,0,0,0,0,0|3,0,1]=4 243 B7R0.4 O=[N+]([O-])CNCCO 69325ec3c6bcdbf7a6cebb6b1eb9806b [0,0,0,0,0,0|3,0,1]=4 244 B7R0.4 O=[N+]([O-])CNCCS 295b59c1dfc9e00bdb8a8fce46a4d66a [0,0,0,0,0,0|3,0,1]=4 245 B7R0.4 O=[N+]([O-])COCCF 7f34e8cd8176ba8269c13784fe80127e [0,0,0,0,0,0|3,0,1]=4 246 B7R0.4 O=[N+]([O-])COCCS 3483ea2430a9838c713aea5e4187205b [0,0,0,0,0,0|3,0,1]=4 247 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,0,0,0,0,0|3,0,0]=4 249 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,0,0,0,0,0|3,0,0]=4 250 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,0,0,0,0|3,0,0]=4 251 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,0,0,0,0,0|3,0,0]=4 252 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,0,0,0,0,0|3,0,0]=4 253 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,0,0,0,0,0|3,0,0]=4 254 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,0,0,0,0,0|3,0,0]=4 255 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,0,0,0,0,0|3,0,0]=4 256 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,0,0,0,0,0|3,0,0]=4 257 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,0,0,0,0|3,0,0]=4 258 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,0,0,0,0|3,0,0]=4 259 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,0,0,0,0|3,0,0]=4 260 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,0,0,0,0|3,0,0]=4 261 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,0,0,0,0|3,0,0]=4 262 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,0,0,0,0|2,0,0]=3 263 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,0,0,0,0|2,0,0]=3 264 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,0,0,0,0|2,0,0]=3 265 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,0,0,0,0|1,0,0]=2 266 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|2,0,0]=3 270 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,0,0,0,0|2,0,0]=3 271 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,0,0,0,0|1,0,0]=2 272 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,0,0,0,0,0|2,1,0]=4 273 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,0,0,0,0|2,0,0]=3 274 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,0,0,0,0,0|3,0,0]=4 276 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,0,0,0,0,0|3,0,0]=4 277 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,0,0,0,0,0|3,0,0]=4 278 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,0,0,0,0,0|2,0,0]=3 279 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,0,0,0,0|2,0,0]=3 280 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [1,0,0,0,0,0|1,0,2]=4 283 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [1,0,0,0,0,0|1,0,2]=4 286 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [1,0,0,0,0,0|1,0,2]=4 288 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,0,0,0,0,0|1,0,2]=4 292 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,0,0,0,0|2,0,0]=3 293 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,0,0,0,0,0|3,0,0]=4 295 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,0,0,0,0|2,0,0]=3 296 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [1,0,0,0,0,0|3,0,0]=4 298 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,0,0,0,0|2,0,0]=3 299 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [1,0,0,0,0,0|3,0,0]=4 301 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,0,0,0,0,0|3,0,0]=4 302 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [1,0,0,0,0,0|3,0,0]=4 303 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,0,0,0,0|2,0,0]=3 304 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,0,0,0,0,0|3,0,0]=4 307 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [1,0,0,0,0,0|1,0,2]=4 308 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,0,0,0,0,0|2,0,1]=4 309 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,0,0,0,0,0|2,0,1]=4 310 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [1,0,0,0,0,0|2,0,1]=4 311 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,0,0,0,0|1,0,0]=2 312 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,0,0,0,0|2,0,1]=4 313 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,0,0,0,0,0|2,0,1]=4 314 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,0,0,0,0,0|1,0,1]=3 315 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,0,0,0,0|2,0,1]=4 316 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,0,0,0,0,0|1,0,0]=2 319 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,0,0,0,0,0|2,0,1]=4 320 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,0,0,0,0,0|1,0,1]=3 324 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,0,0,0,0,0|1,1,1]=4 325 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,0,0,0,0,0|3,0,0]=4 326 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,0,0,0,0,0|3,0,0]=4 327 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [1,0,0,0,0,0|2,0,1]=4 328 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,0,0,0,0,0|1,0,0]=2 329 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,0,0,0,0,0|2,0,1]=4 330 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,0,0,0,0,0|1,1,1]=4 332 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,0,0,0,0,0|3,0,0]=4 333 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,0,0,0,0,0|3,0,0]=4 334 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,0,0,0,0,0|1,0,1]=3 337 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,0,0,0,0,0|3,0,0]=4 338 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [1,0,0,0,0,0|3,0,0]=4 339 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,0,0,0,0,0|3,0,0]=4 340 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,0,0,0,0|1,0,0]=2 344 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,0,0,0,0,0|2,0,1]=4 345 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,0,0,0,0,0|1,1,1]=4 346 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,0,0,0,0|3,0,0]=4 347 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,0,0,0,0|3,0,0]=4 348 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,0,0,0,0,0|2,0,0]=3 349 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [1,0,0,0,0,0|2,0,1]=4 350 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [1,0,0,0,0,0|2,0,1]=4 351 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,0,0,0,0,0|2,0,0]=3 352 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,0,0,0,0,0|2,0,0]=3 353 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [1,0,0,0,0,0|2,0,1]=4 355 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [1,0,0,0,0,0|2,0,1]=4 356 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [1,0,0,0,0,0|2,0,1]=4 358 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [1,0,0,0,0,0|2,0,1]=4 359 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,0,0,0,0,0|2,0,0]=3 361 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,0,0,0,0,0|2,0,0]=3 362 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,0,0,0,0,0|2,0,0]=3 363 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,0,0,0,0,0|2,0,0]=3 364 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,0,0,0,0,0|2,0,0]=3 365 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,0,0,0,0,0|2,0,0]=3 366 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,0,0,0,0,0|2,0,0]=3 367 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,0,0,0,0,0|2,0,0]=3 368 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,0,0,0,0,0|2,0,0]=3 369 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,0,0,0,0,0|2,0,0]=3 370 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [1,0,0,0,0,0|2,0,1]=4 371 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [1,0,0,0,0,0|2,0,1]=4 372 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [1,0,0,0,0,0|2,0,1]=4 374 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [1,0,0,0,0,0|2,0,1]=4 375 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [1,0,0,0,0,0|2,0,1]=4 376 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [1,0,0,0,0,0|2,0,1]=4 377 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.5 C#CCN(C)CC(=O)O 9abb39fbf4cdcac02269d67e50e724b5 [0,1,0,0,0,0|1,0,2]=4 379 B8R0.5 C=C(Br)CN(C)CCC fb2b399db1881507b03f49296dad3a42 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.5 C=C(C)CN(C)CCC 67a547626d9fe48bc4d555dd9d8ee25d [0,1,0,0,0,0|3,0,0]=4 381 B8R0.5 C=C(Cl)CN(C)CCC 40fce807c5ffbcb654536672bed9a3b8 [0,1,0,0,0,0|3,0,0]=4 382 B8R0.5 C=CCN(C)CC(=O)O 7ee8ca05079b6f72d0f00781a2b17cdf [0,1,0,0,0,0|1,0,2]=4 383 B8R0.5 CC(=O)NC(C)CCO 31015bb8805fb64762d130a6b4b7d734 [0,1,0,0,0,0|3,0,0]=4 384 B8R0.5 CC(=O)N[C@@H](C)CCO 4818866c214b230552dc5531d2d7dacb [0,1,0,0,0,0|3,0,0]=4 385 B8R0.5 CC(=O)N[C@H](C)CCO d4f1175f550aed36e673eb7917598f76 [0,1,0,0,0,0|3,0,0]=4 386 B8R0.5 CC(CC(=O)N)OCF 3e264f2c27636c1a0f540c1f468797f4 [0,1,0,0,0,0|3,0,0]=4 387 B8R0.5 CC(CC(=O)O)NC#N 2707038014831afc2ce40ae6d3c44c2b [0,1,0,0,0,0|2,0,1]=4 388 B8R0.5 CC(CC(=O)O)NCF 84d4be16e4ac304aaa68ed4d36823324 [0,1,0,0,0,0|2,0,0]=3 389 B8R0.5 CC(CC(=O)O)NCO 10996b09f91fab84edb45bd9880e2318 [0,1,0,0,0,0|2,0,0]=3 390 B8R0.5 CC(CC(=O)O)OCF 14e16352da0b978e8e37b50cbc803026 [0,1,0,0,0,0|2,0,0]=3 391 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,1,0,0,0,0|2,0,0]=3 392 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,1,0,0,0,0|2,0,0]=3 393 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,1,0,0,0,0|1,0,0]=2 394 B8R0.5 CCCN(C)CC(C)O ba71d19aa94a205bc2a8e63dac164472 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.5 CCCN(C)C[C@@H](C)O e21d8a4c9925e7ebdd999960638ddfd2 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.5 CCCN(C)C[C@H](C)O 8866f4aefe80bbaf9ef0e79e608206ab [0,1,0,0,0,0|2,0,1]=4 397 B8R0.5 CCCN(C)C[N+](=O)[O-] 1da16b4d827595081bb5ff08735265aa [0,1,0,0,0,0|2,0,1]=4 398 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,1,0,0,0,0|2,0,0]=3 399 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,1,0,0,0,0|1,0,0]=2 400 B8R0.5 CCNC(C)CC(C)O 43b202ae8ff1647314607d5a8e6eab62 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,1,0,0,0,0|1,0,0]=2 402 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,1,0,0,0,0|1,0,0]=2 403 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,1,0,0,0,0|2,0,0]=3 404 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,1,0,0,0,0|1,0,0]=2 405 B8R0.5 CCOC(C)C[N+](=O)[O-] b27ec23ecb023bda7a5b2b5d22939688 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,1,0,0,0,0|1,0,0]=2 407 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,1,0,0,0,0|1,0,0]=2 408 B8R0.5 CN(CC#N)CC(=O)O bc896e10abdeff2aa8e14b2e3c6e86cb [0,1,0,0,0,0|2,0,1]=4 409 B8R0.5 CN(CC=O)CC(=O)O 4f16c2423e66def517d0d42510089596 [0,1,0,0,0,0|2,0,1]=4 410 B8R0.5 CN(CCF)CC(=O)N d26c9ff0c6aeb9650633740b8e8fbdd2 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.5 CN(CCF)CC(=O)O 378a586b4ce9b0291e7e9d64e15c1748 [0,1,0,0,0,0|2,0,0]=3 412 B8R0.5 CN(CCO)CC(=O)N 0888a0a37efb8cd042350a61e8c75fb4 [0,1,0,0,0,0|3,0,0]=4 413 B8R0.5 CN(CCO)CC(=O)O e22eedcab85615a7cb9a01481995f5a1 [0,1,0,0,0,0|2,0,0]=3 414 B8R0.5 CN(CCS)CC(=O)N ac27f0a2a25a3457ae9c334515a984f5 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.5 CN(CCS)CC(=O)O 20a126cdeaa5b2f572a540b4b00dcdb8 [0,1,0,0,0,0|2,0,0]=3 416 B8R0.5 COCC(C)NC(=O)C d3030be71efb57415a6640caba792cb5 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.5 COCN(C)CC(=O)N 883b5fd21ac0fa4c080e391aedf41537 [0,1,0,0,0,0|3,0,0]=4 418 B8R0.5 COCN(C)CC(=O)O 38182438be3a4fb938d35352c6bcaa17 [0,1,0,0,0,0|2,0,0]=3 419 B8R0.5 COC[C@@H](C)NC(=O)C e26de4ebd7327dac480ea010b3a6df2f [0,1,0,0,0,0|3,0,0]=4 420 B8R0.5 COC[C@H](C)NC(=O)C 4d6a771b34650f584286aeb4b67fe92b [0,1,0,0,0,0|3,0,0]=4 421 B8R0.5 CSCN(C)CC(=O)N 95b0cce82a1be92513ca60f76f2c4e94 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,1,0,0,0,0|2,0,0]=3 423 B8R0.5 C[C@@H](CC(=O)O)NCF 7b4409b263377324cee992cead4d4496 [0,1,0,0,0,0|2,0,0]=3 424 B8R0.5 C[C@@H](CC(=O)O)NCO 6f9af837429cbf13d74a82abb33116db [0,1,0,0,0,0|2,0,0]=3 425 B8R0.5 C[C@@H](CC(=O)O)OCF 3a1dfbb8c5aec4e4079809a87b6b3981 [0,1,0,0,0,0|2,0,0]=3 426 B8R0.5 C[C@H](CC(=O)O)NCF 6a82f1327e74ba81c2a6e57eb4cb9aac [0,1,0,0,0,0|2,0,0]=3 427 B8R0.5 C[C@H](CC(=O)O)NCO 3ee6882c6b18b0aec7272fad595282f5 [0,1,0,0,0,0|2,0,0]=3 428 B8R0.5 C[C@H](CC(=O)O)OCF 913e08b306bc95c6771408b42aad5ed2 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,1,0,0,0,0|2,0,0]=3 430 B8R0.6 C#CC(=O)NCCCCl 1e6f7ab06ab7dcf88ea4205ff8340824 [0,1,0,0,0,0|3,0,0]=4 431 B8R0.6 C#CC(=O)NCCCO 12d57d1037b70231cb0862460a64755d [0,1,0,0,0,0|3,0,0]=4 432 B8R0.6 C#CC(=O)NCCOC 27d5f534cf46c1b30aac020f37738689 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.6 C#CC(=O)NCCSC 1d2889159a53b2ae0146f8d2c63c8c49 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.6 C#CCCNC(=O)CO 245d05e33dd6d7c5b17cadbb8fcf8809 [0,1,0,0,0,0|1,0,2]=4 435 B8R0.6 C#CCNCC(=O)CO a3c792cf03c227602ef2fbb618cf5767 [0,1,0,0,0,0|1,0,2]=4 436 B8R0.6 C#CCNCC(=O)NO 88e8842cbeb38bffc7d949ea90d139a2 [0,1,0,0,0,0|1,0,2]=4 437 B8R0.6 C#CCNCC(=O)OC 45a330447218442f782052439de91cbb [0,1,0,0,0,0|1,0,2]=4 438 B8R0.6 C#CCOCC(=O)OC 1936252f7aa08c2478ab6a51c2564247 [0,1,0,0,0,0|1,0,2]=4 439 B8R0.6 C=C(C#N)CNCCC 6f0a9e6523e92673194892ef08de17fb [0,1,0,0,0,0|3,0,0]=4 440 B8R0.6 C=C(C#N)COCCC 2c67684a3c90ed3f20287957e9f99586 [0,1,0,0,0,0|3,0,0]=4 441 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,1,0,0,0,0|2,0,0]=3 442 B8R0.6 C=C(C=O)OCCCF 0eb811d6f95a63d3bfd1c30c0420353a [0,1,0,0,0,0|3,0,0]=4 443 B8R0.6 C=C(C=O)OCCCS f4c5b5b4eb066d1dde7e640ae8b83d6c [0,1,0,0,0,0|3,0,0]=4 444 B8R0.6 C=C(C=O)OCCOC 8adae63bd2505248918f320832a88b6d [0,1,0,0,0,0|3,0,0]=4 445 B8R0.6 C=C(C=O)OCCSC bcf62c6c6fadd7ac5b12dbbe58c89f04 [0,1,0,0,0,0|3,0,0]=4 446 B8R0.6 C=C(C=O)OCOCC a43dcefe7b49a952ac6bc79bdf8dad34 [0,1,0,0,0,0|3,0,0]=4 447 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,1,0,0,0,0|3,0,0]=4 448 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,1,0,0,0,0|3,0,0]=4 449 B8R0.6 C=C(CNCCBr)OC efbac263e7650d3962d08edf3ce114db [0,1,0,0,0,0|3,0,0]=4 450 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [0,1,0,0,0,0|2,0,0]=3 451 B8R0.6 C=C(CNCCF)OC 0e8256fb644c0f85910115699008ab8e [0,1,0,0,0,0|3,0,0]=4 452 B8R0.6 C=C(CNCCI)OC fcef31f506379ae7bbc30bf7d4c63099 [0,1,0,0,0,0|3,0,0]=4 453 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,1,0,0,0,0|3,0,0]=4 454 B8R0.6 C=C(CNCCS)OC ce06596f455c7bf3f5895fe9ae52a28f [0,1,0,0,0,0|3,0,0]=4 455 B8R0.6 C=C(CO)CNCCBr 1538cd8f5a19aefe9ac0222cecb7abd4 [0,1,0,0,0,0|3,0,0]=4 456 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,1,0,0,0,0|2,0,0]=3 457 B8R0.6 C=C(CO)CNCCF 3eb09a81d0db8d32f14af9b7972e103d [0,1,0,0,0,0|3,0,0]=4 458 B8R0.6 C=C(CO)CNCCI 796bcf6c376951ccd776953135c6e059 [0,1,0,0,0,0|3,0,0]=4 459 B8R0.6 C=C(CO)CNCCO 894d7668b7763d0cb8a4050ef9b33650 [0,1,0,0,0,0|3,0,0]=4 460 B8R0.6 C=C(CO)CNCCS dfc962103906ef519e3299dc9c138cef [0,1,0,0,0,0|3,0,0]=4 461 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,1,0,0,0,0|2,0,0]=3 462 B8R0.6 C=C(COCCF)OC 781881c77dd820871f857506616f3c75 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.6 C=C(COCCS)OC 4d7d697d0d7ec1ce88163ba6265f360d [0,1,0,0,0,0|3,0,0]=4 464 B8R0.6 C=C(COCOC)OC ecada7a2d0836d223f9478db3a9a4d4b [0,1,0,0,0,0|3,0,0]=4 465 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,1,0,0,0,0|2,0,0]=3 466 B8R0.6 C=CC(=O)NCCCCl b3fefab619db0213f8f1d61d24e52747 [0,1,0,0,0,0|3,0,0]=4 467 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,1,0,0,0,0|3,0,0]=4 468 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,1,0,0,0,0|3,0,0]=4 469 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,1,0,0,0,0|3,0,0]=4 470 B8R0.6 C=CC(=O)NCOCC a3acdb74bd061db7f0f50fdf176f3404 [0,1,0,0,0,0|3,0,0]=4 471 B8R0.6 C=CC(O)CNCCC 250d400a4869db06d0ddc8aa5ab26738 [0,1,0,0,0,0|2,0,1]=4 472 B8R0.6 C=CCCNC(=O)CO 98f6aad136129263a9e12af8510e3e51 [0,1,0,0,0,0|1,0,2]=4 473 B8R0.6 C=CCNCC(=O)NO 119d64e5ab4b2a8f8a1bbdfd4a7063e5 [0,1,0,0,0,0|1,0,2]=4 474 B8R0.6 C=CCNCC(=O)OC 149a449e2131ace3a8ad23121b53b8be [0,1,0,0,0,0|1,0,2]=4 475 B8R0.6 C=CCOCC(=O)OC 4af7941697fe7abf28d3bb985f3618ec [0,1,0,0,0,0|1,0,2]=4 476 B8R0.6 CC#CCNC(=O)CO 285f913d5587688230d414cb78c6b0e0 [0,1,0,0,0,0|1,0,2]=4 477 B8R0.6 CC=CCNC(=O)CO 89f535fd64f7fddf0a20907685f7be1f [0,1,0,0,0,0|1,0,2]=4 478 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,1,0,0,0,0|3,0,0]=4 479 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,1,0,0,0,0|3,0,0]=4 480 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,1,0,0,0,0|3,0,0]=4 481 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,1,0,0,0,0|3,0,0]=4 482 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,1,0,0,0,0|3,0,0]=4 483 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,1,0,0,0,0|3,0,0]=4 484 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,1,0,0,0,0|3,0,0]=4 485 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,1,0,0,0,0|3,0,0]=4 487 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,1,0,0,0,0|3,0,0]=4 488 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,1,0,0,0,0|3,0,0]=4 489 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,1,0,0,0,0|3,0,0]=4 490 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,1,0,0,0,0|3,0,0]=4 491 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,1,0,0,0,0|2,0,0]=3 492 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [0,1,0,0,0,0|3,0,0]=4 493 B8R0.6 CCCCCN(C)CF 8024733ae25e28b26397cb54377f95de [0,1,0,0,0,0|3,0,0]=4 494 B8R0.6 CCCCCN(C)CO 702cd1b5f55dd49ef03de9639f750f5d [0,1,0,0,0,0|2,0,0]=3 495 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,1,0,0,0,0|1,0,1]=3 496 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,1,0,0,0,0|2,0,0]=3 497 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,1,0,0,0,0|2,0,0]=3 498 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,1,0,0,0,0|1,0,0]=2 499 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,1,0,0,0,0|1,1,0]=3 500 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,1,0,0,0,0|2,0,1]=4 501 B8R0.6 CCCCNC(C)CO a4efa04835aec462a506dc09510b7daa [0,1,0,0,0,0|2,0,1]=4 502 B8R0.6 CCCCN[C@@H](C)CO d8f5c76ec16b14b85f3ea7c0c7c506ec [0,1,0,0,0,0|2,0,1]=4 503 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,1,0,0,0,0|2,0,1]=4 504 B8R0.6 CCCCN[C@H](C)CO 8c5ff7f1c65ebff164beb494dca30506 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,1,0,0,0,0|2,0,1]=4 506 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,1,0,0,0,0|2,0,1]=4 507 B8R0.6 CCCNC/C(=C/Cl)/Cl f1f7c339e4b876083db2ade75f21e5c2 [0,1,0,0,0,0|3,0,0]=4 508 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,1,0,0,0,0|2,0,0]=3 509 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,1,0,0,0,0|1,0,0]=2 510 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,1,0,0,0,0|2,0,0]=3 511 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,1,0,0,0,0|1,0,0]=2 512 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,1,0,0,0,0|1,0,0]=2 513 B8R0.6 CCCNCC(C)CO bada9382d7478daf22189069037ac93e [0,1,0,0,0,0|2,0,1]=4 514 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.6 CCCNCC(F)CO 1fbd267406b42948814f2731c74a697d [0,1,0,0,0,0|2,0,1]=4 516 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,1,0,0,0,0|2,0,1]=4 517 B8R0.6 CCCNCC(O)CF 6b148f8c0ee064ed8d543b5039e523f2 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.6 CCCNCC(O)CO ef4d49b8ea36802719349f3b133e1e99 [0,1,0,0,0,0|1,0,2]=4 519 B8R0.6 CCCNC[C@@H](C)CO e2e04f216e2cf7289ffbc090d47f4872 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,1,0,0,0,0|2,0,1]=4 521 B8R0.6 CCCNC[C@@H](F)CO 2e4db86e61d98ce82db032e44095de49 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.6 CCCNC[C@@H](O)CO dafe9b91bd25493db5b4fd00556e2ba2 [0,1,0,0,0,0|1,0,2]=4 523 B8R0.6 CCCNC[C@H](C)CO defe9877a5fa0f3089777deffa950668 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.6 CCCNC[C@H](F)CO 3389b643e0aff855320122ad6471828f [0,1,0,0,0,0|2,0,1]=4 526 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.6 CCCNC[C@H](O)CO 96300a66a4a3502656d1a73cb7a7e894 [0,1,0,0,0,0|1,0,2]=4 528 B8R0.6 CCCOC/C(=C/Cl)/Cl a465139a0b7ab6d0987e779c3247a97c [0,1,0,0,0,0|3,0,0]=4 529 B8R0.6 CCCOC/C(=C/I)/C dc8f9e85d6578ff08977a63eedf944cc [0,1,0,0,0,0|3,0,0]=4 530 B8R0.6 CCCOCC(=CI)C b3b55d96dd2a298243d83d73d18b42c8 [0,1,0,0,0,0|3,0,0]=4 531 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,1,0,0,0,0|2,0,0]=3 532 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,1,0,0,0,0|2,0,0]=3 533 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,1,0,0,0,0|1,0,0]=2 534 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [0,1,0,0,0,0|1,0,2]=4 536 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [0,1,0,0,0,0|1,0,2]=4 538 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [0,1,0,0,0,0|1,0,2]=4 540 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,1,0,0,0,0|2,0,0]=3 541 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,1,0,0,0,0|1,0,0]=2 542 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,1,0,0,0,0|1,0,0]=2 543 B8R0.6 CCNCCC(C)CO ffe66682733dd9abfb03c881d931d81e [0,1,0,0,0,0|2,0,1]=4 544 B8R0.6 CCNCCC(O)CO 922f46c9d655f5bd845de1a77bb9960c [0,1,0,0,0,0|1,0,2]=4 545 B8R0.6 CCNCC[C@@H](C)CO ffdff460ce93129e3bafc62c0c27431e [0,1,0,0,0,0|2,0,1]=4 546 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,1,0,0,0,0|1,0,0]=2 548 B8R0.6 CCOCCC(C)OC aca392573287df7e0b1f4fb0d4e1cdef [0,1,0,0,0,0|2,0,1]=4 549 B8R0.6 CCOCCN(C)C=O 150e28d8c1b8a1d219f5e81a871d89a8 [0,1,0,0,0,0|3,0,0]=4 550 B8R0.6 CCOCCN(C)CO b65808a1feae7a64adfe4a5fe7b8d2d1 [0,1,0,0,0,0|3,0,0]=4 551 B8R0.6 CN(C=O)CCCCO 7f619f7f07602d0a1e936e8e17f35450 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.6 CN(CO)CCCCO 95b34bd6810255fa2c6a80302969d8a4 [0,1,0,0,0,0|3,0,0]=4 553 B8R0.6 CNC(=O)CCNCF 7d032297ec7b15962e82d70691941148 [0,1,0,0,0,0|3,0,0]=4 554 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.6 CNC(=O)CCOCF d44958e5865e9e15b8b4578e30ceba1f [0,1,0,0,0,0|3,0,0]=4 556 B8R0.6 CNC(=O)CNCCBr 6c7bbb2b8e2277851a9c4b1ee98b855e [0,1,0,0,0,0|3,0,0]=4 557 B8R0.6 CNC(=O)CNCCF ad7e29831d5186eb0f908b77a11c392c [0,1,0,0,0,0|3,0,0]=4 558 B8R0.6 CNC(=O)CNCCI e2ceae3c2127a1926854bc9548bd60de [0,1,0,0,0,0|3,0,0]=4 559 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,1,0,0,0,0|3,0,0]=4 560 B8R0.6 CNC(=O)CNCCS 910fb23341c3da7d5e154bf7558a8aca [0,1,0,0,0,0|3,0,0]=4 561 B8R0.6 CNC(=O)CNCOC 8847ec992234bab2b496b10120a2af91 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,1,0,0,0,0|3,0,0]=4 564 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,1,0,0,0,0|3,0,0]=4 565 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,1,0,0,0,0|3,0,0]=4 566 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.6 COC(=O)CCNC#N 7a530d6d679d08354249cd6e728a86d9 [0,1,0,0,0,0|2,0,1]=4 568 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [0,1,0,0,0,0|2,0,1]=4 569 B8R0.6 COC(=O)CCNCF c9ea88c8e4da792c48ff261f6679c953 [0,1,0,0,0,0|2,0,0]=3 570 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,1,0,0,0,0|2,0,0]=3 571 B8R0.6 COC(=O)CCOCF 2f015a84e5a71939cec0c0c38276031f [0,1,0,0,0,0|2,0,0]=3 572 B8R0.6 COC(=O)CNCC#N e54efd0e7cdfa4eb3c060e8dafdb53cb [0,1,0,0,0,0|2,0,1]=4 573 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [0,1,0,0,0,0|2,0,1]=4 574 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [0,1,0,0,0,0|2,0,0]=3 575 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [0,1,0,0,0,0|2,0,0]=3 576 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [0,1,0,0,0,0|2,0,0]=3 577 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,1,0,0,0,0|2,0,0]=3 578 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [0,1,0,0,0,0|2,0,0]=3 579 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,1,0,0,0,0|2,0,0]=3 580 B8R0.6 COC(=O)COCC#N d961317c976447afdfd8be4bef3f1d28 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [0,1,0,0,0,0|2,0,1]=4 582 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,1,0,0,0,0|2,0,0]=3 583 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,1,0,0,0,0|2,0,0]=3 584 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,1,0,0,0,0|2,0,0]=3 585 B8R0.6 COCCCN(C)C=O 2dd2589e4563c98a7952d017ac8fb720 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.6 COCCCN(C)CO a3856969af6f9c73d1fa163ffb103625 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,1,0,0,0,0|3,0,0]=4 589 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,1,0,0,0,0|2,0,0]=3 590 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,1,0,0,0,0|2,1,0]=4 591 B8R0.6 COCNCC(=O)NO 6370b599efa65c671e4aeafd65f9dc2d [0,1,0,0,0,0|2,0,0]=3 592 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [0,1,0,0,0,0|2,0,0]=3 593 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,1,0,0,0,0|2,0,0]=3 594 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,1,0,0,0,0|2,0,1]=4 595 B8R0.6 CSCCNC(=O)CF 57944584a9e694467df2be000c951ad6 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,1,0,0,0,0|2,0,0]=3 597 B8R0.6 CSCCNC(=O)CS 2af34aeed751cd9e812792b0dc7e1060 [0,1,0,0,0,0|2,1,0]=4 598 B8R0.6 CSCNCC(=O)NO 9162eae199ecb4fcb04238ef65fba3a9 [0,1,0,0,0,0|2,0,0]=3 599 B8R0.6 N#CCCNC(=O)CO 87c406c5bc0dc45a014108f83918aa54 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.6 N#CCNCC(=O)CO 5e8f28f2fb25f63df04e6bffce39c5fd [0,1,0,0,0,0|2,0,1]=4 601 B8R0.6 N#CCNCC(=O)NO 72cb15057f3de220b547eab3e774e0ce [0,1,0,0,0,0|2,0,1]=4 602 B8R0.6 NOCCNC(=O)CO d33eb512bcee6c5a14c6336e1dded456 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.6 O=C(CCNCF)NO aaad06265f693e1393c4e11198291b97 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.6 O=C(CCNCO)NO a2ec66bacb8f2a5bbd11eb6132728c80 [0,1,0,0,0,0|2,0,0]=3 605 B8R0.6 O=C(CF)NCCCCl 934b8e6ee889c80727ea8b7e3cae7f71 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,1,0,0,0,0|3,0,0]=4 607 B8R0.6 O=C(CNCCF)NO 4ede23953c58be1266bfab49008bd398 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.6 O=C(CNCCO)NO 9399a3f3247500214a3724c003b791f0 [0,1,0,0,0,0|2,0,0]=3 609 B8R0.6 O=C(CNCCS)NO 6bd3c1ae8f710265188a27a831a6425d [0,1,0,0,0,0|2,0,0]=3 610 B8R0.6 O=C(CO)CNCCBr 4b4dd4df91e92b925ca40ac918c073a9 [0,1,0,0,0,0|2,0,0]=3 611 B8R0.6 O=C(CO)CNCCF 9f05edaf4811ba7f9ac498eb6a37ffc4 [0,1,0,0,0,0|2,0,0]=3 612 B8R0.6 O=C(CO)CNCCI fad7dbe7caa4eb2201e5d92c6c999ddf [0,1,0,0,0,0|2,0,0]=3 613 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,1,0,0,0,0|2,0,0]=3 614 B8R0.6 O=C(CO)CNCCS 0b181a826e47050c4e6ba69a8d17fa11 [0,1,0,0,0,0|2,0,0]=3 615 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,1,0,0,0,0|2,0,0]=3 616 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,1,0,0,0,0|2,0,0]=3 617 B8R0.6 O=C(CS)NCCCCl 17654daec75e68e56a406f3209f982cd [0,1,0,0,0,0|2,1,0]=4 618 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,1,0,0,0,0|2,1,0]=4 619 B8R0.6 O=CC(=O)NCCCCl 64f1b2357217366e1bf6fcb0b40fa18e [0,1,0,0,0,0|2,0,1]=4 620 B8R0.6 O=CC(=O)NCCCO c7baf2e22cfdb49043ef0f7982d363e4 [0,1,0,0,0,0|2,0,1]=4 621 B8R0.6 O=CCNCC(=O)NO e1b7011d11f3d9485584b87c7adb5be5 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.6 O=CNCCC(=O)NO f4927e1f04fae0627a70804a3bc865c3 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.7 C#CCCCNC(=O)C 8bbad3dcf674b05cb5f90221808a2bb7 [0,1,0,0,0,0|1,0,2]=4 624 B8R0.7 C#CCCNCC(=O)C c4cc756a51afb7be13a15a9a08fcff4c [0,1,0,0,0,0|1,0,2]=4 625 B8R0.7 C#CCCNCC(=O)N 1f3003baf97abd2324b063149dfdad50 [0,1,0,0,0,0|1,0,2]=4 626 B8R0.7 C#CCCNCC(=O)O a62cfb736e7f82a3494237514cacf08e [0,1,0,0,0,0|0,0,2]=3 627 B8R0.7 C#CCCOCC(=O)C d40f062f5d5b5dd437467b58ad4478ba [0,1,0,0,0,0|1,0,2]=4 628 B8R0.7 C#CCCOCC(=O)N 16832b99fecfae9a9433e7f121c1b73e [0,1,0,0,0,0|1,0,2]=4 629 B8R0.7 C#CCCOCC(=O)O 7b766f5b88fb0ecd599c5abf9efbeabf [0,1,0,0,0,0|0,0,2]=3 630 B8R0.7 C#CCCOCS(=O)O 52a9dad7e56965cb03c5b726910557ba [0,1,0,0,0,0|1,0,2]=4 631 B8R0.7 C#CCNCCC(=O)C c404d0087dc2dc93430e30073cbb1872 [0,1,0,0,0,0|1,0,2]=4 632 B8R0.7 C#CCNCCC(=O)N 93be733b56fc479909304b7711180789 [0,1,0,0,0,0|1,0,2]=4 633 B8R0.7 C#CCNCCC(=O)O 6efd5e85084acab9c542105691239e32 [0,1,0,0,0,0|0,0,2]=3 634 B8R0.7 C#CCNCCS(=O)O 7ff05c6a9740070d86609c48acf0edce [0,1,0,0,0,0|1,0,2]=4 635 B8R0.7 C#CCOCCC(=O)C 5d051bea38d55a1d1b77591e946629a4 [0,1,0,0,0,0|1,0,2]=4 636 B8R0.7 C#CCOCCC(=O)N 238988e372393a30996f8238ceea5a3a [0,1,0,0,0,0|1,0,2]=4 637 B8R0.7 C#CCOCCC(=O)O 4db8817d78a49abe243c505f5b6fbd25 [0,1,0,0,0,0|0,0,2]=3 638 B8R0.7 C/C=C/CNCC(=O)C d08365ea544d9b1f5f738627bd1655a4 [0,1,0,0,0,0|1,0,2]=4 639 B8R0.7 C/C=C/CNCC(=O)N 35bccb5c6f26f8bea4b235e26562bb8f [0,1,0,0,0,0|1,0,2]=4 640 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [0,1,0,0,0,0|0,0,2]=3 641 B8R0.7 C/C=C/COCC(=O)C 8704cfa8ea1b508d264e8fc5e5c29d85 [0,1,0,0,0,0|1,0,2]=4 642 B8R0.7 C/C=C/COCC(=O)N 5a789f9788fb0b39c2772356abc11d01 [0,1,0,0,0,0|1,0,2]=4 643 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,1,0,0,0,0|0,0,2]=3 644 B8R0.7 C/C=C/COCS(=O)O 8f948a2ea386382c9b970dc6d7543956 [0,1,0,0,0,0|1,0,2]=4 645 B8R0.7 C/C=C\CNCC(=O)C 6a6c9d418c0891c2fa3bf4c597c04764 [0,1,0,0,0,0|1,0,2]=4 646 B8R0.7 C/C=C\CNCC(=O)N 986aed96850afbf455a00521096423c9 [0,1,0,0,0,0|1,0,2]=4 647 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [0,1,0,0,0,0|0,0,2]=3 648 B8R0.7 C/C=C\COCC(=O)C 2779d7a42d72df0b04bf874f0b76bd29 [0,1,0,0,0,0|1,0,2]=4 649 B8R0.7 C/C=C\COCC(=O)N 946717a3036575b064e54b5e93162f10 [0,1,0,0,0,0|1,0,2]=4 650 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,1,0,0,0,0|0,0,2]=3 651 B8R0.7 C/C=C\COCS(=O)O 4b2a40c27272c651830af668304424f7 [0,1,0,0,0,0|1,0,2]=4 652 B8R0.7 C=C(Br)CCOCCC 724052c822c0bef7448f44a794bff992 [0,1,0,0,0,0|2,0,0]=3 653 B8R0.7 C=C(Br)CCOCCF 9c9798a7b43efb90b886758df6a738de [0,1,0,0,0,0|3,0,0]=4 654 B8R0.7 C=C(Br)CCOCCS 48b875edf0fb524e953a85b596cbf8dd [0,1,0,0,0,0|3,0,0]=4 655 B8R0.7 C=C(Br)CCOCOC c1c84f126d3fd57a0b0e1be8314eb30f [0,1,0,0,0,0|3,0,0]=4 656 B8R0.7 C=C(Br)CCOCSC dc07dbda02c200711970a954014d26e1 [0,1,0,0,0,0|3,0,0]=4 657 B8R0.7 C=C(Br)CNCCCC 7c9c44e81bf00a83350435698bbd8321 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.7 C=C(Br)CNCCCCl 5d2b43e8986d544e367241db5e9268ac [0,1,0,0,0,0|3,0,0]=4 659 B8R0.7 C=C(Br)CNCCCF 51ab428a414cc4c9404ed8a51a5a7737 [0,1,0,0,0,0|3,0,0]=4 660 B8R0.7 C=C(Br)CNCCCO 9593077d2863d607f3d2693354ee7a70 [0,1,0,0,0,0|3,0,0]=4 661 B8R0.7 C=C(Br)CNCCCS b0b9d90e638f2808750705a6c9ac139a [0,1,0,0,0,0|3,0,0]=4 662 B8R0.7 C=C(Br)CNCCOC 2f37d09dfbde25a8329e0bab5cba9d06 [0,1,0,0,0,0|3,0,0]=4 663 B8R0.7 C=C(Br)CNCCSC 5b1a1ae0f5347cb228c1a769729a44d5 [0,1,0,0,0,0|3,0,0]=4 664 B8R0.7 C=C(Br)CNCOCC dba29b361cca4942dba533d01e62fe36 [0,1,0,0,0,0|3,0,0]=4 665 B8R0.7 C=C(Br)COCCCC ec6d613824c971053aa03d22d6526bd3 [0,1,0,0,0,0|2,0,0]=3 666 B8R0.7 C=C(Br)COCCCF 485710d025a81dcbbf1b6346554cf146 [0,1,0,0,0,0|3,0,0]=4 667 B8R0.7 C=C(Br)COCCCS fe1c867f52f3b335087c547702385f29 [0,1,0,0,0,0|3,0,0]=4 668 B8R0.7 C=C(Br)COCCOC 2da701a5c4237e918809768f71501c67 [0,1,0,0,0,0|3,0,0]=4 669 B8R0.7 C=C(Br)COCCSC 8115612421b5124e936093469c623be0 [0,1,0,0,0,0|3,0,0]=4 670 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [0,1,0,0,0,0|2,0,0]=3 671 B8R0.7 C=C(C)CCCOCF 76264cef51d14a00e40692a03297067c [0,1,0,0,0,0|3,0,0]=4 672 B8R0.7 C=C(C)CCNCCBr 7ced6d8c6e32bc1f876500890047cded [0,1,0,0,0,0|3,0,0]=4 673 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,1,0,0,0,0|2,0,0]=3 674 B8R0.7 C=C(C)CCNCCF 8569016bcb7348aaa45008d66f5f6a2c [0,1,0,0,0,0|3,0,0]=4 675 B8R0.7 C=C(C)CCNCCI d20ef749df3249ef9aaad80f778516f3 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.7 C=C(C)CCNCCO 21920b0882725c69be4c5ff08469b5db [0,1,0,0,0,0|3,0,0]=4 677 B8R0.7 C=C(C)CCNCCS 2f2e2170dcd696655a54f1153dbc50c6 [0,1,0,0,0,0|3,0,0]=4 678 B8R0.7 C=C(C)CCNCOC 7be90491ee700292d0e2b62ea3c5d946 [0,1,0,0,0,0|3,0,0]=4 679 B8R0.7 C=C(C)CCNCSC 0537b76f67ce88918e3939b8c0661738 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [0,1,0,0,0,0|2,0,0]=3 681 B8R0.7 C=C(C)CCOCCF cad086a36984e044fb55164106973801 [0,1,0,0,0,0|3,0,0]=4 682 B8R0.7 C=C(C)CCOCCS c14b0067a06142591fd279d6fe25eb06 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.7 C=C(C)CCOCOC 2d580783ee3d7b7a5ba6e90b0c9cd47a [0,1,0,0,0,0|3,0,0]=4 684 B8R0.7 C=C(C)CCOCSC 8b354d12fad36f04225eaa7c7e6282c1 [0,1,0,0,0,0|3,0,0]=4 685 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [0,1,0,0,0,0|2,0,0]=3 686 B8R0.7 C=C(C)CNCCCCl 846c99a3b9539c7d1bf408b5c7720df3 [0,1,0,0,0,0|3,0,0]=4 687 B8R0.7 C=C(C)CNCCCF beb220b1f62c61215fe4088c375ae748 [0,1,0,0,0,0|3,0,0]=4 688 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,1,0,0,0,0|3,0,0]=4 689 B8R0.7 C=C(C)CNCCCS 0a6e65af8417b99414a8ba398cfdd355 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.7 C=C(C)CNCCOC 9d11af89280f819077ad9c1b1c3e595f [0,1,0,0,0,0|3,0,0]=4 691 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [0,1,0,0,0,0|3,0,0]=4 692 B8R0.7 C=C(C)CNCOCC 5232fb2ea1283f6a12b07e7e1960cc36 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [0,1,0,0,0,0|2,0,0]=3 694 B8R0.7 C=C(C)COCCCF d7bfb5949c51972c3e54f6e8bca91cae [0,1,0,0,0,0|3,0,0]=4 695 B8R0.7 C=C(C)COCCCS ce1f8ade88868e163cf874f2fb32694a [0,1,0,0,0,0|3,0,0]=4 696 B8R0.7 C=C(C)COCCOC 4c97b3aa85916d5020a98673772e2c8a [0,1,0,0,0,0|3,0,0]=4 697 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [0,1,0,0,0,0|3,0,0]=4 698 B8R0.7 C=C(C)COCOCC 386ffc84facf9cdf98d22feeb307d2d3 [0,1,0,0,0,0|3,0,0]=4 699 B8R0.7 C=C(Cl)CNCCCC 8cde48ce042cc357f299abd3d75de5f6 [0,1,0,0,0,0|2,0,0]=3 700 B8R0.7 C=C(Cl)CNCCCCl ebbec9e24712b23eb0ae6771f8e7becf [0,1,0,0,0,0|3,0,0]=4 701 B8R0.7 C=C(Cl)CNCCCO 3beb85068c88a196e26a5ca82d7fe904 [0,1,0,0,0,0|3,0,0]=4 702 B8R0.7 C=C(Cl)CNCCOC d2b942d0401395267b6bea2fb57d8d54 [0,1,0,0,0,0|3,0,0]=4 703 B8R0.7 C=C(Cl)CNCCSC 510ed02e52d250f4e3877597d05cc565 [0,1,0,0,0,0|3,0,0]=4 704 B8R0.7 C=C(Cl)COCCCC b9221f326393a29bb0b2b7fc0007ae8a [0,1,0,0,0,0|2,0,0]=3 705 B8R0.7 C=C(Cl)COCCCF df0ebcd5a5ec043e11fa10511cec886d [0,1,0,0,0,0|3,0,0]=4 706 B8R0.7 C=C(Cl)COCCCS 7160b6ab4d2287624a72daa9ac553ab9 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.7 C=C(Cl)COCCOC 9cc11464b40b31027021ebe38caf2a78 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.7 C=C(Cl)COCCSC f3861298614a897487da4435e963ef56 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.7 C=C(Cl)COCOCC c9236da3ba1778fd40c20ee616eee0fa [0,1,0,0,0,0|3,0,0]=4 710 B8R0.7 C=C(F)CNCCCC d50f3d468cf2542e6029912d15cd6fb8 [0,1,0,0,0,0|2,0,0]=3 711 B8R0.7 C=C(F)CNCCCCl 8d59dce5957364b9e5381ffb12e4c05a [0,1,0,0,0,0|3,0,0]=4 712 B8R0.7 C=C(F)CNCCCO 72f99c7c070c8ad65be7786b4c8e1816 [0,1,0,0,0,0|3,0,0]=4 713 B8R0.7 C=C(F)CNCCOC dae00dbc2d8543adc1568efb181171e9 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.7 C=C(F)CNCCSC d0c31b69c02ec918e82a738748803c26 [0,1,0,0,0,0|3,0,0]=4 715 B8R0.7 C=C(F)COCCCC 985eead93b4fa2eb0f6e6420dae41362 [0,1,0,0,0,0|2,0,0]=3 716 B8R0.7 C=C(F)COCCCF ed746bbd677565603e8ef1e29192c14e [0,1,0,0,0,0|3,0,0]=4 717 B8R0.7 C=C(F)COCCCS 4276a5a15f1500b7d0fe0d36afab567a [0,1,0,0,0,0|3,0,0]=4 718 B8R0.7 C=C(F)COCCOC 823e22cf931d1dcb421932f5eadd6cab [0,1,0,0,0,0|3,0,0]=4 719 B8R0.7 C=C(F)COCCSC e51737a42dec5b58b92e49d087c27bec [0,1,0,0,0,0|3,0,0]=4 720 B8R0.7 C=C(I)COCCCC ad06c21e680b3d0f2a946d2102fcc07e [0,1,0,0,0,0|2,0,0]=3 721 B8R0.7 C=C(I)COCCCF 98b86b232aa85ec97d29d3e3c401b763 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.7 C=C(I)COCCCS b6d1e77e6cd735be750b12b13ee107c1 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.7 C=C(I)COCCOC 9ba8f616af692aab0102499d760cb0fd [0,1,0,0,0,0|3,0,0]=4 724 B8R0.7 C=C(I)COCCSC c966d9f86e479c95cf6527498693e642 [0,1,0,0,0,0|3,0,0]=4 725 B8R0.7 C=C(I)COCOCC b942b2ec49271bb9aab579dd8a171d5c [0,1,0,0,0,0|3,0,0]=4 726 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [0,1,0,0,0,0|1,0,2]=4 727 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [0,1,0,0,0,0|1,0,2]=4 728 B8R0.7 C=CCCNCC(=O)N 1e9728afee7c9095106ef553572029e3 [0,1,0,0,0,0|1,0,2]=4 729 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [0,1,0,0,0,0|0,0,2]=3 730 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [0,1,0,0,0,0|1,0,2]=4 731 B8R0.7 C=CCCOCC(=O)N a0132ffbe9a7c321f35b6b60f1c77d37 [0,1,0,0,0,0|1,0,2]=4 732 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [0,1,0,0,0,0|0,0,2]=3 733 B8R0.7 C=CCCOCS(=O)O 5d59a515ca3d25853f48deb4680da2af [0,1,0,0,0,0|1,0,2]=4 734 B8R0.7 C=CCNCCC(=O)N c4e22c4e97d549ee7501dda7440906e2 [0,1,0,0,0,0|1,0,2]=4 735 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [0,1,0,0,0,0|0,0,2]=3 736 B8R0.7 C=CCNCCS(=O)O 9269ef3a997b531d0228a411ad4b56e1 [0,1,0,0,0,0|1,0,2]=4 737 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,1,0,0,0,0|1,0,2]=4 738 B8R0.7 C=CCOCCC(=O)N c683f70750e78c699bdb2e05fabddbb6 [0,1,0,0,0,0|1,0,2]=4 739 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [0,1,0,0,0,0|0,0,2]=3 740 B8R0.7 CC#CCNCC(=O)N 98e7dd49acfde0590b88c5c43e6a2d4e [0,1,0,0,0,0|1,0,2]=4 741 B8R0.7 CC#CCNCC(=O)O 839a83969460cb5276f0ce2f33e20420 [0,1,0,0,0,0|0,0,2]=3 742 B8R0.7 CC#CCOCC(=O)N ef79d1ce9d8ff13308dca4126378cdb3 [0,1,0,0,0,0|1,0,2]=4 743 B8R0.7 CC#CCOCC(=O)O fcec6ff15e4ba99fb579eff8ab750539 [0,1,0,0,0,0|0,0,2]=3 744 B8R0.7 CC(=O)CCCNC#N 8b7273c99af5c82cd0047226199ec8d9 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.7 CC(=O)CCCOCF c94204172541830dae5131095b16871b [0,1,0,0,0,0|2,0,0]=3 746 B8R0.7 CC(=O)CCNCC#N 769fb98f7c4af2806e1b1e6106e1fb3b [0,1,0,0,0,0|2,0,1]=4 747 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,1,0,0,0,0|2,0,0]=3 748 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,1,0,0,0,0|2,0,0]=3 749 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,1,0,0,0,0|2,0,0]=3 750 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,1,0,0,0,0|2,0,0]=3 751 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,1,0,0,0,0|2,0,0]=3 752 B8R0.7 CC(=O)CCOCC#N e0071fb57f9ed70e6e69159a4d59ad92 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,1,0,0,0,0|2,0,0]=3 755 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,1,0,0,0,0|2,0,0]=3 756 B8R0.7 CC(=O)CNCCC#N cee37c97fe16e1f2f71518cd3f26d1c6 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,1,0,0,0,0|2,0,0]=3 759 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,1,0,0,0,0|2,0,0]=3 760 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,1,0,0,0,0|2,0,0]=3 761 B8R0.7 CC(=O)COCCC#N 124c12496a741677c11befadae46beff [0,1,0,0,0,0|2,0,1]=4 762 B8R0.7 CC(=O)COCCC=O 67fac1685908ac3ed2e3421f7c02f4dc [0,1,0,0,0,0|2,0,1]=4 763 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,1,0,0,0,0|2,0,0]=3 764 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,1,0,0,0,0|2,0,0]=3 765 B8R0.7 CC(=O)NCCCC#N 4c43f07b4dd9f661d7f672a979b3f954 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [0,1,0,0,0,0|2,0,0]=3 767 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,1,0,0,0,0|2,0,0]=3 768 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [0,1,0,0,0,0|2,0,0]=3 769 B8R0.7 CC(=O)NCCNCF db91b63aaf221a36f5f6ac9412eb39bb [0,1,0,0,0,0|3,0,0]=4 770 B8R0.7 CC(=O)NCCNCO 818a1f0b2f9e527fc51c0718d6aa51ec [0,1,0,0,0,0|3,0,0]=4 771 B8R0.7 CC(=O)NCCOCF 64711f295825afc1aa99ebd9c8f8a648 [0,1,0,0,0,0|3,0,0]=4 772 B8R0.7 CC(=O)NCOCCF 71f4d510aaa6fcd6f0cc129128b41850 [0,1,0,0,0,0|3,0,0]=4 773 B8R0.7 CC(=O)NCOCCS ea386d431c82b5e4a577412c44abfbbd [0,1,0,0,0,0|3,0,0]=4 774 B8R0.7 CC(=O)OCCOCF 756380d609b85c4340107bc6c786fe33 [0,1,0,0,0,0|3,0,0]=4 775 B8R0.7 CC(=O)OCNCCBr 174298ba317d3d2bde96945db1ddc7ca [0,1,0,0,0,0|3,0,0]=4 776 B8R0.7 CC(=O)OCNCCF 63fb375855a825e0738d855f91fad5fd [0,1,0,0,0,0|3,0,0]=4 777 B8R0.7 CC(=O)OCNCCI dbce8e98f599d4912e85f711777f148f [0,1,0,0,0,0|3,0,0]=4 778 B8R0.7 CC(=O)OCNCCO 02ed0f7075f3856f82fcf4a6039e490a [0,1,0,0,0,0|3,0,0]=4 779 B8R0.7 CC(=O)OCNCCS 754743a28ff18a32145801e587e13f07 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.7 CC(=O)OCOCCF 5b1b288bc16deebdd842b5c68c58b799 [0,1,0,0,0,0|3,0,0]=4 781 B8R0.7 CC(=O)OCOCCS 5bf0970c2800c0896344fcb315a8ccbb [0,1,0,0,0,0|3,0,0]=4 782 B8R0.7 CC(O)CCNCCBr 5a93f7293e77ce97835ff01ebe452505 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.7 CC(O)CCNCCF ef84e9c91e955495b1b392657fd5821f [0,1,0,0,0,0|2,0,1]=4 784 B8R0.7 CC(O)CCNCCI bfeeae8cdf0455d1c9cfd9eb984023c3 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.7 CC(O)CCNCCO 1a35051c97021be18870217e0a33c64e [0,1,0,0,0,0|2,0,1]=4 786 B8R0.7 CC(O)CCNCCS 238e44838a362c90d19257797e15c958 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.7 CC(O)CNCCCCl 333628270b035381d7a3131b7004001c [0,1,0,0,0,0|2,0,1]=4 788 B8R0.7 CC(O)CNCCCF 753f028cfacbeb87aa0832e03394d242 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.7 CC(O)CNCCCO fe4cf1fbd21f9c78c984e34870d2398d [0,1,0,0,0,0|2,0,1]=4 790 B8R0.7 CC(O)CNCCCS 7a3702a079c3bcade1b24a337aa57ea3 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.7 CC=CCNCC(=O)N 7efd7732ed8821f9c7210004bad86f98 [0,1,0,0,0,0|1,0,2]=4 792 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [0,1,0,0,0,0|0,0,2]=3 793 B8R0.7 CC=CCOCC(=O)N 88e8dd09adb68044e374d93bc6b3c79e [0,1,0,0,0,0|1,0,2]=4 794 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,1,0,0,0,0|0,0,2]=3 795 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,1,0,0,0,0|1,0,0]=2 796 B8R0.7 CCCCCNC(C)C fecd5fbc16956a143ac8609a2bd9e0c3 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.7 CCCCCOC(C)C d4e915467a92d9554e0d3ccd108d1b4d [0,1,0,0,0,0|2,0,1]=4 798 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,1,0,0,0,0|1,0,0]=2 799 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,1,0,0,0,0|1,0,0]=2 800 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,1,0,0,0,0|0,0,0]=1 801 B8R0.7 CCCCNCC(C)C 14e08612915cf77b2fa2c2f94f61132b [0,1,0,0,0,0|2,0,1]=4 802 B8R0.7 CCCCNCC(C)O 931ffaa97d207c9fb7ebac0ec881f8e7 [0,1,0,0,0,0|1,0,1]=3 803 B8R0.7 CCCCNCC(F)F 59c1dd31b1633b5881723b5df4d70221 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.7 CCCCNCN(C)C e1ce7e7ec8d6dee5ae81d311d66afe96 [0,1,0,0,0,0|3,0,0]=4 805 B8R0.7 CCCCNC[C@@H](C)O 4edb0f48a9a733f4509d2f3b0321ae53 [0,1,0,0,0,0|1,0,1]=3 806 B8R0.7 CCCCNC[C@H](C)O 57de7703f075876997013fb957b70c80 [0,1,0,0,0,0|1,0,1]=3 807 B8R0.7 CCCCNC[N+](=O)[O-] b37a4d591c4d5c287e1ebe6ace96f684 [0,1,0,0,0,0|1,0,1]=3 808 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,1,0,0,0,0|1,0,0]=2 809 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,1,0,0,0,0|1,0,0]=2 810 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,1,0,0,0,0|0,0,0]=1 811 B8R0.7 CCCCOCC(=S)N 66f00256fcd5080323facaf554f24131 [0,1,0,0,0,0|1,1,0]=3 812 B8R0.7 CCCCOCC(C)C 68b7612d0f936ebbf9a831b7d6c778be [0,1,0,0,0,0|2,0,1]=4 813 B8R0.7 CCCCOCC(C)F b61cc2ea745ef93460e21e251f057d4d [0,1,0,0,0,0|2,0,1]=4 814 B8R0.7 CCCCOCC(C)S 0d43463b5fb693fda0dbccdcbbdd2ce0 [0,1,0,0,0,0|1,1,1]=4 815 B8R0.7 CCCCOCC(F)F aaeb3cfc8ecfd31ba743b6647a74b0e1 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.7 CCCCOCN(C)C 3598f39145ccde2eee87aa91337fcbb4 [0,1,0,0,0,0|3,0,0]=4 817 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [0,1,0,0,0,0|1,0,0]=2 818 B8R0.7 CCCCOC[C@@H](C)F 395daf95e36b203ab6e7a7c03c8e4490 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.7 CCCCOC[C@H](C)F 26014bea3230facd252589a2fc4ef47c [0,1,0,0,0,0|2,0,1]=4 820 B8R0.7 CCCCOC[N+](=O)[O-] 94b3f3bcc50279ace071168fd7298364 [0,1,0,0,0,0|1,0,1]=3 821 B8R0.7 CCCNC/C=C(/C)\I a77ce06125d9c73831e62376d6be0fc0 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.7 CCCNC/C=C(\C)/Cl 126e03eaad5b55a6a1e28418959632f2 [0,1,0,0,0,0|2,0,1]=4 823 B8R0.7 CCCNCC=C(C)C 029a389e0c61ae0bd25944f993ae298b [0,1,0,0,0,0|2,0,1]=4 824 B8R0.7 CCCNCC=C(C)Cl efaac4fe73efd3293fd70f693c290d56 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.7 CCCNCC=C(C)I a5752b317cc0800d3b92ad72ab74de8f [0,1,0,0,0,0|2,0,1]=4 826 B8R0.7 CCCNCC=C(Cl)Cl a28bbaeb77f480d6b1b0308eb964a955 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,1,0,0,0,0|1,0,0]=2 828 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,1,0,0,0,0|1,0,0]=2 829 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,1,0,0,0,0|0,0,0]=1 830 B8R0.7 CCCNCCC(=S)N 9bd19729128b21bf5f6ba43475b023e4 [0,1,0,0,0,0|1,1,0]=3 831 B8R0.7 CCCNCCC(C)C 76a9f83b0ca62c4bc3c8277b05f628fa [0,1,0,0,0,0|2,0,1]=4 832 B8R0.7 CCCNCCC(C)O ccdd4aef6b342b7b92e15346bf177ff3 [0,1,0,0,0,0|1,0,1]=3 833 B8R0.7 CCCNCCC(F)F 06bc8dd7195781c8fa8e64160537904c [0,1,0,0,0,0|2,0,1]=4 834 B8R0.7 CCCNCCN(C)C 1fd7d9835f7eceefef0e4025a05690fb [0,1,0,0,0,0|3,0,0]=4 835 B8R0.7 CCCNCCS(=O)C 8907fe98197a1b6e79d094b2d7a6d4a5 [0,1,0,0,0,0|2,0,0]=3 836 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,1,0,0,0,0|1,0,0]=2 837 B8R0.7 CCCNCC[C@@H](C)O 96ed78371080616609e6a19f4bc6ef50 [0,1,0,0,0,0|1,0,1]=3 838 B8R0.7 CCCNCC[C@H](C)O e223e4268330f6aea945d3b98613cfef [0,1,0,0,0,0|1,0,1]=3 839 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [0,1,0,0,0,0|2,0,0]=3 840 B8R0.7 CCCNCSC(=O)N 21ecf184b2a8dc86141aa6b38ac15f2d [0,1,0,0,0,0|2,0,0]=3 841 B8R0.7 CCCOC/C=C(/C)\Cl e5b94c0880532c7df7e87dea267bb3ef [0,1,0,0,0,0|2,0,1]=4 842 B8R0.7 CCCOC/C=C(/C)\I 1101d7d371ceb7c7bf005fcd8d3d5521 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.7 CCCOC/C=C(\C)/Cl 3b21530ea6646e5380074ec64c6c9e4b [0,1,0,0,0,0|2,0,1]=4 844 B8R0.7 CCCOCC=C(C)C b30e82a8d352d0695bc34774c65bba1f [0,1,0,0,0,0|2,0,1]=4 845 B8R0.7 CCCOCC=C(C)Cl 4a4c390369b94edf3a434bd7810fee83 [0,1,0,0,0,0|2,0,1]=4 846 B8R0.7 CCCOCC=C(C)I 1c329db9da6fd808a5be639e1c562867 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.7 CCCOCC=C(Cl)Cl 0d884fb615940692bddcdbe164ef960a [0,1,0,0,0,0|2,0,1]=4 848 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,1,0,0,0,0|1,0,0]=2 849 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,1,0,0,0,0|1,0,0]=2 850 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,1,0,0,0,0|0,0,0]=1 851 B8R0.7 CCCOCCC(C)C 2eab4c15e86c20ee350695e4727673e2 [0,1,0,0,0,0|2,0,1]=4 852 B8R0.7 CCCOCCC(F)F c238cb362dacb265d2fe0fdc1ac7cda2 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.7 CCCOCCN(C)C 79c8f5d530bd776f1befe5ca1224c45c [0,1,0,0,0,0|3,0,0]=4 854 B8R0.7 CCCOCCS(=O)C 2c35684313aa0effe020f10a0837e485 [0,1,0,0,0,0|2,0,0]=3 855 B8R0.7 CCCOCC[N+](=O)[O-] 11f99b66cb4f802bc9ea03fcd4d8e421 [0,1,0,0,0,0|1,0,1]=3 856 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [0,1,0,0,0,0|2,0,0]=3 857 B8R0.7 CCCOCNC(=O)N 0c3353a650f6a23c649d3b49f74f0755 [0,1,0,0,0,0|2,0,0]=3 858 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [0,1,0,0,0,0|2,0,0]=3 859 B8R0.7 CCCOCSC(=O)N a8d0da169e47db6ff5658c749b630f62 [0,1,0,0,0,0|2,0,0]=3 860 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [0,1,0,0,0,0|0,0,2]=3 861 B8R0.7 CCNCC#CC(=O)N 3ed8df5b98a3cc4f23be821cadba243e [0,1,0,0,0,0|1,0,2]=4 862 B8R0.7 CCNCC#CC(=O)O 451eb2c163912cae12c5d5f7dc6a6856 [0,1,0,0,0,0|0,0,2]=3 863 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [0,1,0,0,0,0|0,0,2]=3 864 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [0,1,0,0,0,0|1,0,0]=2 865 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,1,0,0,0,0|0,0,0]=1 866 B8R0.7 CCNCCCC(C)C 6e52cb7d352b50eb30e238c582f22475 [0,1,0,0,0,0|2,0,1]=4 867 B8R0.7 CCNCCCN(C)C 90ee4ab5b9e6c4ea77050abf169d2a99 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.7 CCNCCCS(=O)C 391b9e72626e76cdd4e5a903c9b4bc67 [0,1,0,0,0,0|2,0,0]=3 869 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [0,1,0,0,0,0|2,0,0]=3 870 B8R0.7 CCNCCNC(=S)N 8fc810e8d29b290b15d6cde2db7581aa [0,1,0,0,0,0|2,1,0]=4 871 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [0,1,0,0,0,0|0,0,2]=3 872 B8R0.7 CCOCC#CC(=O)O c98c8c0a09bdc73b6fd1ff1e3aa38396 [0,1,0,0,0,0|0,0,2]=3 873 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [0,1,0,0,0,0|0,0,2]=3 874 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [0,1,0,0,0,0|1,0,0]=2 875 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [0,1,0,0,0,0|1,0,0]=2 876 B8R0.7 CCOCCCC(C)C e68811d021b73c585b1339be7097acd9 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.7 CCOCCCN(C)C aea7d760e9c8771a1ef45b93a8f9f7c3 [0,1,0,0,0,0|3,0,0]=4 878 B8R0.7 CCOCCC[N+](=O)[O-] 71c6eb2b7e36ed7d09037020112f4423 [0,1,0,0,0,0|1,0,1]=3 879 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [0,1,0,0,0,0|2,0,0]=3 880 B8R0.7 CCOCCNC(=O)N 1d69caaced26be13153afb55af020221 [0,1,0,0,0,0|2,0,0]=3 881 B8R0.7 CCOCCNC(=S)N d18ad8983712a47acdc463189d7e5669 [0,1,0,0,0,0|2,1,0]=4 882 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [0,1,0,0,0,0|2,0,0]=3 883 B8R0.7 CCOCNCC(=O)C 534404aa2bb4eb60a9a5f4f7d068a4cd [0,1,0,0,0,0|2,0,0]=3 884 B8R0.7 CCOCNCC(=O)N 8c5834421c71bace2ac17791d8413420 [0,1,0,0,0,0|2,0,0]=3 885 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,1,0,0,0,0|1,0,0]=2 886 B8R0.7 CCOCNCC(C)O 24ccfaa7e75872cf26d496230fd15b21 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.7 CCOCNC[C@@H](C)O 75d9d187f353289c2c2a7694580ab35a [0,1,0,0,0,0|2,0,1]=4 888 B8R0.7 CCOCNC[C@H](C)O 09d1233b9ac8e82ae19ef34daace6a79 [0,1,0,0,0,0|2,0,1]=4 889 B8R0.7 CCOCOCC(=O)C e044734fa15c25bee2b20056cca4f1a8 [0,1,0,0,0,0|2,0,0]=3 890 B8R0.7 CCOCOCC(=O)N 4677b548e92ecffae954122455550d38 [0,1,0,0,0,0|2,0,0]=3 891 B8R0.7 CCOCOCC(=S)N 954df826bc8116ccaedc3c11f318ede4 [0,1,0,0,0,0|2,1,0]=4 892 B8R0.7 CCOCOCS(=O)O f0f6516ce26ef8345e6a1b5134db53f6 [0,1,0,0,0,0|2,0,0]=3 893 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [0,1,0,0,0,0|2,0,0]=3 894 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [0,1,0,0,0,0|2,0,0]=3 895 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,1,0,0,0,0|2,0,0]=3 896 B8R0.7 COCCNCC(=O)N 137fcc310030132af81430a136880512 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,1,0,0,0,0|1,0,0]=2 898 B8R0.7 COCCNCC(C)O a6f4728eeff32ec4fcbf8e57ed616698 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.7 COCCNC[C@@H](C)O 4beb59a86c8864c163dcbb580623ab5e [0,1,0,0,0,0|2,0,1]=4 900 B8R0.7 COCCNC[C@H](C)O a9c8878bb2cf027926f7305b99434175 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.7 COCCNC[N+](=O)[O-] 6c9c36a0e0856616a148c80934d0b31f [0,1,0,0,0,0|2,0,1]=4 902 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,1,0,0,0,0|2,0,0]=3 903 B8R0.7 COCCOCC(=O)N 52e3a5cb41b7881a4ace23e25a8bc04a [0,1,0,0,0,0|2,0,0]=3 904 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,1,0,0,0,0|1,0,0]=2 905 B8R0.7 COCCOCC(=S)N f6b7727d398d2dd73460849d3902a55b [0,1,0,0,0,0|2,1,0]=4 906 B8R0.7 COCCOCS(=O)O 9425fd968f35d546d46a8c1e3b670b55 [0,1,0,0,0,0|2,0,0]=3 907 B8R0.7 COCCOC[N+](=O)[O-] 21fa290ed814068495c8c8fca5430a92 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.7 COCNCCC(=O)N 75a34d6a21e65f0fa9c3ab03a203332a [0,1,0,0,0,0|2,0,0]=3 909 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,1,0,0,0,0|1,0,0]=2 910 B8R0.7 COCNCCC(=S)N dfaeaddb57f804fe439256ee90df51d4 [0,1,0,0,0,0|2,1,0]=4 911 B8R0.7 COCNCCC(C)O 639e1300d4061a93e5a3a9497a727f46 [0,1,0,0,0,0|2,0,1]=4 912 B8R0.7 COCNCCS(=O)C c1b03b36250a7d65845034eba40ff581 [0,1,0,0,0,0|3,0,0]=4 913 B8R0.7 COCNCCS(=O)O 9b0f09c32fdad7545dd3373c6db4845f [0,1,0,0,0,0|2,0,0]=3 914 B8R0.7 COCNCC[C@@H](C)O 123c5ef1cba87a9588fce251e247bddb [0,1,0,0,0,0|2,0,1]=4 915 B8R0.7 COCNCC[C@H](C)O 5ef169a9cdf49589607767e5c3010b08 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.7 COCOCCC(=O)C 85ebfe45bbace861b367f83c75d33358 [0,1,0,0,0,0|2,0,0]=3 917 B8R0.7 COCOCCC(=O)N dacd263a3e35c03bcd8f525b496ade95 [0,1,0,0,0,0|2,0,0]=3 918 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [0,1,0,0,0,0|1,0,0]=2 919 B8R0.7 COCOCCS(=O)C 5c514c40760f28852b9a3cba0a2dcded [0,1,0,0,0,0|3,0,0]=4 920 B8R0.7 COCOCC[N+](=O)[O-] 512b5dfce6ca5c0e78383ac0e7ff10e2 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.7 COCOCNC(=O)C 312d16668782054e8a09863d487deec3 [0,1,0,0,0,0|3,0,0]=4 922 B8R0.7 COCOCNC(=O)N 8c51aa8d583d0d6c2d56097b83e9eb7a [0,1,0,0,0,0|3,0,0]=4 923 B8R0.7 COCOCOC(=O)C 54249d0e78c186a79ad9be3cc51e7aac [0,1,0,0,0,0|3,0,0]=4 924 B8R0.7 COCOCSC(=O)N f4fd591d10edf01493f31a36cb5acea5 [0,1,0,0,0,0|3,0,0]=4 925 B8R0.7 CS(=O)CCCNCF 1782bd36c07605f68f0fc42848ad0ff8 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.7 CS(=O)CCCNCO 61e6364bb166cbf2cabd3dc6ad6ca626 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.7 CS(=O)CCNCCBr 65a2b15dd6aa44ab4cdd342d230b704b [0,1,0,0,0,0|3,0,0]=4 928 B8R0.7 CS(=O)CCNCCF cbee396aafd868112d9d9f046e829220 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.7 CS(=O)CCNCCI 629ce25a6db322c2ba9dda0f6a58fe44 [0,1,0,0,0,0|3,0,0]=4 930 B8R0.7 CS(=O)CCNCCO 93f7733e139b010e12660cb8139e909a [0,1,0,0,0,0|3,0,0]=4 931 B8R0.7 CS(=O)CCNCCS 49818c7057088eae67f281721402a222 [0,1,0,0,0,0|3,0,0]=4 932 B8R0.7 CS(=O)CCOCCF fdaadfc676436847a62c0e42bb0f6865 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.7 CS(=O)CCOCCS 189076507e3322af2f6154476fa0f988 [0,1,0,0,0,0|3,0,0]=4 934 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [0,1,0,0,0,0|2,0,0]=3 935 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,1,0,0,0,0|2,0,0]=3 936 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,1,0,0,0,0|2,0,0]=3 937 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,1,0,0,0,0|1,0,0]=2 938 B8R0.7 CSCCNCC(C)O 684b1705ba2238f55a9db5f4eaf48d67 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.7 CSCCNC[C@@H](C)O bc0fd1dc506166a7fd0edef563d937ce [0,1,0,0,0,0|2,0,1]=4 940 B8R0.7 CSCCNC[C@H](C)O db068fc33901ed1895a5d7d51bc4242d [0,1,0,0,0,0|2,0,1]=4 941 B8R0.7 CSCCNC[N+](=O)[O-] 4e94b2e61054a620ea96c1c59120e88c [0,1,0,0,0,0|2,0,1]=4 942 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,1,0,0,0,0|2,0,0]=3 943 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,1,0,0,0,0|2,0,0]=3 944 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,1,0,0,0,0|1,0,0]=2 945 B8R0.7 CSCCOCC(=S)N 8e53e76a280366e5d6cfa827b0973738 [0,1,0,0,0,0|2,1,0]=4 946 B8R0.7 CSCCOCS(=O)O 15541620354d70e96c81747abb1141b3 [0,1,0,0,0,0|2,0,0]=3 947 B8R0.7 CSCCOC[N+](=O)[O-] 2bf267c3fb5b82c38f2e976f242beca6 [0,1,0,0,0,0|2,0,1]=4 948 B8R0.7 CSCNCCC(=O)N 2c9d140685046003cf9f9ad555d9359d [0,1,0,0,0,0|2,0,0]=3 949 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,1,0,0,0,0|1,0,0]=2 950 B8R0.7 CSCNCCC(=S)N 07fc989e9e3a9aa655f41a9b936a37d9 [0,1,0,0,0,0|2,1,0]=4 951 B8R0.7 CSCNCCC(C)O 8079af77e795db5c9b76b0339e48e07c [0,1,0,0,0,0|2,0,1]=4 952 B8R0.7 CSCNCCS(=O)C 584a2850b756fa8cc87b9ef394dad8f0 [0,1,0,0,0,0|3,0,0]=4 953 B8R0.7 CSCNCCS(=O)O 14787ffddc12e16cb93df9154674fbee [0,1,0,0,0,0|2,0,0]=3 954 B8R0.7 CSCNCC[C@@H](C)O 40afe2c009067bdceded9420a01d83c2 [0,1,0,0,0,0|2,0,1]=4 955 B8R0.7 CSCNCC[C@H](C)O f099555ead223e55238d1cd9c176fd2a [0,1,0,0,0,0|2,0,1]=4 956 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,1,0,0,0,0|2,0,0]=3 957 B8R0.7 CSCOCCC(=O)N 80656c5e91a3a0e1eab18691c1ff654d [0,1,0,0,0,0|2,0,0]=3 958 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [0,1,0,0,0,0|1,0,0]=2 959 B8R0.7 CSCOCCS(=O)C 36c06b13169a7a72e8a51ac6beeed9ff [0,1,0,0,0,0|3,0,0]=4 960 B8R0.7 CSCOCC[N+](=O)[O-] a8e53e59529e1e59f22f7e8be399ce4a [0,1,0,0,0,0|2,0,1]=4 961 B8R0.7 CSCOCNC(=O)C 30bfc52f57e4ed91a642bf8853a3d4bb [0,1,0,0,0,0|3,0,0]=4 962 B8R0.7 CSCOCNC(=O)N e604504e4304b798bbdf3488c593e93f [0,1,0,0,0,0|3,0,0]=4 963 B8R0.7 C[C@@H](O)CCNCCF 00fb3246a5e0f0a40073adf4dd0f9c5c [0,1,0,0,0,0|2,0,1]=4 964 B8R0.7 C[C@@H](O)CCNCCO f9220c0511756d4131431901bdca8f86 [0,1,0,0,0,0|2,0,1]=4 965 B8R0.7 C[C@@H](O)CCNCCS 59e3ce95e9f830a111eb231010deea45 [0,1,0,0,0,0|2,0,1]=4 966 B8R0.7 C[C@@H](O)CNCCCCl 5a9543c00533d909465726506f8ef18f [0,1,0,0,0,0|2,0,1]=4 967 B8R0.7 C[C@@H](O)CNCCCF 643e67d7d3a28d1a865b989008a91394 [0,1,0,0,0,0|2,0,1]=4 968 B8R0.7 C[C@@H](O)CNCCCO e8d0c49be9e4f764b9eb8137611b6561 [0,1,0,0,0,0|2,0,1]=4 969 B8R0.7 C[C@@H](O)CNCCCS b776364a0a5c11e40b8ce2ccd6634a83 [0,1,0,0,0,0|2,0,1]=4 970 B8R0.7 C[C@H](O)CCNCCF aa34994106d76d285bfde4726af6850e [0,1,0,0,0,0|2,0,1]=4 971 B8R0.7 C[C@H](O)CCNCCO b2ddda35e31f7463fd2502c2af77ff58 [0,1,0,0,0,0|2,0,1]=4 972 B8R0.7 C[C@H](O)CCNCCS 086cc0a61842d6afaf2d8eb1da7a5b2d [0,1,0,0,0,0|2,0,1]=4 973 B8R0.7 C[C@H](O)CNCCCCl f7dfc1410f499a1afe59ca2b5ed2048f [0,1,0,0,0,0|2,0,1]=4 974 B8R0.7 C[C@H](O)CNCCCF 8bc48768a95eefd9754dfea6d5065444 [0,1,0,0,0,0|2,0,1]=4 975 B8R0.7 C[C@H](O)CNCCCO 0f92a48ea3b315178512a9aaa009df0a [0,1,0,0,0,0|2,0,1]=4 976 B8R0.7 C[C@H](O)CNCCCS e48e13187eb89118c3ba8c6bedda190f [0,1,0,0,0,0|2,0,1]=4 977 B8R0.7 N#CCCNCC(=O)N 22baa5d30b3fc28c227dca0f335531a0 [0,1,0,0,0,0|2,0,1]=4 978 B8R0.7 N#CCCNCC(=O)O 7bfcf1dd2660ba45e086fc214d0fdf1b [0,1,0,0,0,0|1,0,1]=3 979 B8R0.7 N#CCCOCC(=O)N b99ce03c0315cf66d8d4c6d4a3bf1d14 [0,1,0,0,0,0|2,0,1]=4 980 B8R0.7 N#CCCOCC(=O)O 913a62d3473039da7a70e24bab5e1d23 [0,1,0,0,0,0|1,0,1]=3 981 B8R0.7 N#CCCOCS(=O)O 6f47e4ac524ed4512872a0510dfb2a50 [0,1,0,0,0,0|2,0,1]=4 982 B8R0.7 N#CCNCCC(=O)N dc2c92addb1257280c2705d4f7fcbab5 [0,1,0,0,0,0|2,0,1]=4 983 B8R0.7 N#CCNCCC(=O)O 26556793ee589201382d4a045c687d03 [0,1,0,0,0,0|1,0,1]=3 984 B8R0.7 N#CCNCCS(=O)O a967ed9288a61b676a18650e41024e64 [0,1,0,0,0,0|2,0,1]=4 985 B8R0.7 N#CCOCCC(=O)N 948f9d5fd94bc56f98e2861842051f65 [0,1,0,0,0,0|2,0,1]=4 986 B8R0.7 N#CCOCCC(=O)O 5682b245006f80100a85fc7fd38aef94 [0,1,0,0,0,0|1,0,1]=3 987 B8R0.7 N#CNCCCC(=O)N ef227e040a3bcca70ffd623e61b2b8f8 [0,1,0,0,0,0|2,0,1]=4 988 B8R0.7 N#CSCOCC(=O)O f04eba213eb0e16424d9312cff8fec49 [0,1,0,0,0,0|2,0,1]=4 989 B8R0.7 NC(=O)CCCNC=O 5a008bd91d929501df5e65e014bf8d35 [0,1,0,0,0,0|2,0,1]=4 990 B8R0.7 NC(=O)CCCNCF 69e545c202cd7c9a6342c69c6e6a5f59 [0,1,0,0,0,0|2,0,0]=3 991 B8R0.7 NC(=O)CCCNCO f70a60c235672d89293f900a8d9cefa7 [0,1,0,0,0,0|2,0,0]=3 992 B8R0.7 NC(=O)CCCOCF 15f9a4387dce16382a2e493f0dda5b13 [0,1,0,0,0,0|2,0,0]=3 993 B8R0.7 NC(=O)CCNCC=O bc87ead88c5b068b2b991d595ef66ed6 [0,1,0,0,0,0|2,0,1]=4 994 B8R0.7 NC(=O)CCNCCBr ef24ce00bd552b4c7b9798b47e83c534 [0,1,0,0,0,0|2,0,0]=3 995 B8R0.7 NC(=O)CCNCCF 6b59759188d6118acfcc7c61e6ea8d88 [0,1,0,0,0,0|2,0,0]=3 996 B8R0.7 NC(=O)CCNCCI 3bfe0d669e39520f94e74660ecea4a46 [0,1,0,0,0,0|2,0,0]=3 997 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,1,0,0,0,0|2,0,0]=3 998 B8R0.7 NC(=O)CCNCCS c12ed7aa66bfc39da304ecb7c8d6cdd6 [0,1,0,0,0,0|2,0,0]=3 999 B8R0.7 NC(=O)CCOCC=O 0f8544d00ceae7ccf81f543e5c4d2807 [0,1,0,0,0,0|2,0,1]=4 1000 B8R0.7 NC(=O)CCOCCF 21f605ef26e643b6ae8cba650c7f6b82 [0,1,0,0,0,0|2,0,0]=3 1001 B8R0.7 NC(=O)CCOCCS 2a5607f5a17aca280aa8d0bbb5f8e88b [0,1,0,0,0,0|2,0,0]=3 1002 B8R0.7 NC(=O)CNCCC=O 388d425389a4b244bea589395eabcddd [0,1,0,0,0,0|2,0,1]=4 1003 B8R0.7 NC(=O)CNCCCCl 1db53d8b6e8ec0b45f5ac5aea65a66af [0,1,0,0,0,0|2,0,0]=3 1004 B8R0.7 NC(=O)CNCCCF b8df96f83ebeea4472e3f0cf574d5c10 [0,1,0,0,0,0|2,0,0]=3 1005 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,1,0,0,0,0|2,0,0]=3 1006 B8R0.7 NC(=O)CNCCCS 0cd1ecba18cd09d4875eb7edc039e565 [0,1,0,0,0,0|2,0,0]=3 1007 B8R0.7 NC(=O)COCCC=O a002e12bccccfe874b23b19106d1c078 [0,1,0,0,0,0|2,0,1]=4 1008 B8R0.7 NC(=O)COCCCF 4c181403b43bd0150828aba20f5caec7 [0,1,0,0,0,0|2,0,0]=3 1009 B8R0.7 NC(=O)COCCCS 4ccafd8c8a1e89284daea9397b358185 [0,1,0,0,0,0|2,0,0]=3 1010 B8R0.7 NC(=O)NCCOCF 6cf2e6129bf0181d6cd1339653610748 [0,1,0,0,0,0|3,0,0]=4 1011 B8R0.7 NC(=O)NCOCCF 70e12722ed7f3cb3265862a7036f0a5b [0,1,0,0,0,0|3,0,0]=4 1012 B8R0.7 NC(=O)NCOCCS 31a58401280f8e87024f965b56e917c9 [0,1,0,0,0,0|3,0,0]=4 1013 B8R0.7 NC(=O)SCNCCBr a18bbb3388dfdcfd1f6f509fd5fbda0b [0,1,0,0,0,0|3,0,0]=4 1014 B8R0.7 NC(=O)SCNCCF 4a29eb06061c53fde2f8ddeddc4ba291 [0,1,0,0,0,0|3,0,0]=4 1015 B8R0.7 NC(=O)SCNCCI cb063e4fec88bd89544691f69806660f [0,1,0,0,0,0|3,0,0]=4 1016 B8R0.7 NC(=O)SCNCCO 1bbc095343c94ca3982d1ab4934c107c [0,1,0,0,0,0|3,0,0]=4 1017 B8R0.7 NC(=O)SCNCCS 0b0215353189fed4528d74a89e9c9b1e [0,1,0,0,0,0|3,0,0]=4 1018 B8R0.7 NC(=O)SCOCCS 7bd5c5dadb46c042939556ce57d641a3 [0,1,0,0,0,0|3,0,0]=4 1019 B8R0.7 NC(=S)CCNCCF 8efdf72e038c82a60bfa204c2dd1d661 [0,1,0,0,0,0|2,1,0]=4 1020 B8R0.7 NC(=S)CCNCCO 0bf63ce335ba1738d3e60f4bb45b5800 [0,1,0,0,0,0|2,1,0]=4 1021 B8R0.7 NC(=S)CCNCCS 278efba1496249e8c54fdcb82562e599 [0,1,0,0,0,0|2,1,0]=4 1022 B8R0.7 NC(=S)COCCCF 276e389abf4633d6ecfcfef8f2d69a36 [0,1,0,0,0,0|2,1,0]=4 1023 B8R0.7 NC(=S)COCCCS f94616acf348ebe1f39d3ed9b66f65e4 [0,1,0,0,0,0|2,1,0]=4 1024 B8R0.7 NOCCNCC(=O)N 992a9e03e4089afbd7c51b6a0a2fa2b4 [0,1,0,0,0,0|3,0,0]=4 1025 B8R0.7 NOCCNCC(=O)O 567becea339978b1d5a450bf35e41e83 [0,1,0,0,0,0|2,0,0]=3 1026 B8R0.7 O=C(O)/C=C/CNCF bf1a500decef8c303d3f6a742fbbad66 [0,1,0,0,0,0|1,0,2]=4 1027 B8R0.7 O=C(O)/C=C/CNCO 636d80fa901fc7691204fa365c3594e9 [0,1,0,0,0,0|1,0,2]=4 1028 B8R0.7 O=C(O)/C=C/COCF ebed56b3d2d90acdfdb36d8c22e5f4aa [0,1,0,0,0,0|1,0,2]=4 1029 B8R0.7 O=C(O)C#CCNCF 7519bad034828dbb348ed63c84cc1b7c [0,1,0,0,0,0|1,0,2]=4 1030 B8R0.7 O=C(O)C#CCNCO 297294ec25ae437fba70a300a9c77cbc [0,1,0,0,0,0|1,0,2]=4 1031 B8R0.7 O=C(O)C#CCOCF 1f778b163f31fe4fd4bef0be35cf5468 [0,1,0,0,0,0|1,0,2]=4 1032 B8R0.7 O=C(O)C=CCNCF 3f514297543f3f20f01aa027e709b899 [0,1,0,0,0,0|1,0,2]=4 1033 B8R0.7 O=C(O)C=CCNCO d0e67b57ae84da8c5e0237ae3ec49a86 [0,1,0,0,0,0|1,0,2]=4 1034 B8R0.7 O=C(O)C=CCOCF ff531e5fc8f016fd8f892ee935d373af [0,1,0,0,0,0|1,0,2]=4 1035 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [0,1,0,0,0,0|1,0,0]=2 1036 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [0,1,0,0,0,0|1,0,0]=2 1037 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [0,1,0,0,0,0|1,0,0]=2 1038 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [0,1,0,0,0,0|1,0,0]=2 1039 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [0,1,0,0,0,0|1,0,0]=2 1040 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,1,0,0,0,0|1,0,0]=2 1041 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [0,1,0,0,0,0|1,0,0]=2 1042 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,1,0,0,0,0|1,0,0]=2 1043 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,1,0,0,0,0|1,0,0]=2 1044 B8R0.7 O=C(O)CNC/C=C/Cl a02c0fde949bfab42ff175ce598a29df [0,1,0,0,0,0|1,0,2]=4 1045 B8R0.7 O=C(O)CNC/C=C\Cl daa8db9a6890a10062e4294c482e15c4 [0,1,0,0,0,0|1,0,2]=4 1046 B8R0.7 O=C(O)CNC/C=C\O fcaf4aee7217c0e4fd5dd5a9fcf238f8 [0,1,0,0,0,0|1,0,2]=4 1047 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,1,0,0,0,0|1,0,0]=2 1048 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,1,0,0,0,0|1,0,0]=2 1049 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,1,0,0,0,0|1,0,0]=2 1050 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,1,0,0,0,0|1,0,0]=2 1051 B8R0.7 O=C(O)COC/C=C/Cl c3f3f7ffc75efe73a4f3269177d5d6f7 [0,1,0,0,0,0|1,0,2]=4 1052 B8R0.7 O=C(O)COC/C=C\Cl 606e0e0eece79d7db405143c5a9c7049 [0,1,0,0,0,0|1,0,2]=4 1053 B8R0.7 O=C(O)COCC#CI 7c61fccf86955d47ed0098a260c414a8 [0,1,0,0,0,0|1,0,2]=4 1054 B8R0.7 O=C(O)COCC=CCl 0752457ce4c981dbe25441df90db13c7 [0,1,0,0,0,0|1,0,2]=4 1055 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [0,1,0,0,0,0|1,0,0]=2 1056 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [0,1,0,0,0,0|1,0,0]=2 1057 B8R0.7 O=CCCNCC(=O)O bf4ced9bc1bbfa03663a8c8af093471d [0,1,0,0,0,0|1,0,1]=3 1058 B8R0.7 O=CCCOCC(=O)O ef6505414c853b0dfbd12bbe62edb448 [0,1,0,0,0,0|1,0,1]=3 1059 B8R0.7 O=CCCOCS(=O)O 3a0ab0c4f21b2feafdd9aaf59c492e10 [0,1,0,0,0,0|2,0,1]=4 1060 B8R0.7 O=CCNCCC(=O)O 2746d5d7d8507565af45509ba7bc6f1c [0,1,0,0,0,0|1,0,1]=3 1061 B8R0.7 O=CCNCCS(=O)O 104aeeba492ec25284f66848d37f717a [0,1,0,0,0,0|2,0,1]=4 1062 B8R0.7 O=CCOCCC(=O)O de14f86217b2e4a0f4d6c6c831b08e2c [0,1,0,0,0,0|1,0,1]=3 1063 B8R0.7 O=S(O)CCNCCF 6ae83f604fb3678c54ffa14683ab0e36 [0,1,0,0,0,0|2,0,0]=3 1064 B8R0.7 O=S(O)CCNCCO 7974b1bc97ad54f4d29705e06d65fa2c [0,1,0,0,0,0|2,0,0]=3 1065 B8R0.7 O=S(O)CCNCCS 55afdc590ce640566907268f0a80beef [0,1,0,0,0,0|2,0,0]=3 1066 B8R0.7 O=S(O)COCCCF 30d2ec6240fb1c16499271a4f6492117 [0,1,0,0,0,0|2,0,0]=3 1067 B8R0.7 O=S(O)COCCCS beb0163d74ad014150e5e05594464f98 [0,1,0,0,0,0|2,0,0]=3 1068 B8R0.7 O=[N+]([O-])CCCOCF aab59e8912b4305041ba80532ecfdf2d [0,1,0,0,0,0|2,0,1]=4 1069 B8R0.7 O=[N+]([O-])CCOCCF 8de0125fab2bc5ff24776c06c379f750 [0,1,0,0,0,0|2,0,1]=4 1070 B8R0.7 O=[N+]([O-])CCOCCS b2b05d807fc2754f36f1e96d86f8bfc7 [0,1,0,0,0,0|2,0,1]=4 1071 B8R0.7 O=[N+]([O-])CNCCCCl 692aac1f08b20bf41b0f84d279396fad [0,1,0,0,0,0|2,0,1]=4 1072 B8R0.7 O=[N+]([O-])CNCCCO 699823c2bacae1528b933bc0154f67ed [0,1,0,0,0,0|2,0,1]=4 1073 B8R0.7 O=[N+]([O-])COCCCF 0355b17e3672be8bcafdf15526afacb9 [0,1,0,0,0,0|2,0,1]=4 1074 B8R0.7 O=[N+]([O-])COCCCS 52c4280f786f46b5812ccfcc08a8ba20 [0,1,0,0,0,0|2,0,1]=4 1075 B8R0.8 C#CCNC(C)C(=O)O 4b99b7020e460036fc14906401430936 [0,1,0,0,0,0|1,0,2]=4 1076 B8R0.8 C#CCNC(O)C(=O)O c2f87445089f25c4b184d132413f8006 [0,1,0,0,0,0|1,0,2]=4 1077 B8R0.8 C#CCN[C@@H](C)C(=O)O 10bbfb92e2c549f58f291f130d16578f [0,1,0,0,0,0|1,0,2]=4 1078 B8R0.8 C#CCN[C@H](C)C(=O)O c45ede9d1e43611c768a8090380c1868 [0,1,0,0,0,0|1,0,2]=4 1079 B8R0.8 C#CCOC(C)C(=O)O 1adaa60fa476d6dc220f161b33abd609 [0,1,0,0,0,0|1,0,2]=4 1080 B8R0.8 C#CCO[C@@H](C)C(=O)O 79781b9b2e6b822211278354159e2687 [0,1,0,0,0,0|1,0,2]=4 1081 B8R0.8 C#CCO[C@H](C)C(=O)O 19885536196a71978196625cd8e9f2d3 [0,1,0,0,0,0|1,0,2]=4 1082 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,1,0,0,0,0|1,0,1]=3 1083 B8R0.8 C=C(COCF)C(=O)O 482b63a8a7d21f3e3de9eb1368a89112 [0,1,0,0,0,0|2,0,1]=4 1084 B8R0.8 C=CCNC(C)C(=O)O 4027c27acb0fdf3aaf8b355f1a408423 [0,1,0,0,0,0|1,0,2]=4 1085 B8R0.8 C=CCNC(O)C(=O)O 0ecf31d72e8de05d5ba28c50354b10f9 [0,1,0,0,0,0|1,0,2]=4 1086 B8R0.8 C=CCN[C@@H](C)C(=O)O a2a3215161cedaeb69cecc40398800bc [0,1,0,0,0,0|1,0,2]=4 1087 B8R0.8 C=CCN[C@H](C)C(=O)O 9c9e167784ec1fd5265aa094a42d05d8 [0,1,0,0,0,0|1,0,2]=4 1088 B8R0.8 C=CCOC(C)C(=O)O 950b3a8c28d6da5c53fb492d3fdc807b [0,1,0,0,0,0|1,0,2]=4 1089 B8R0.8 C=CCO[C@@H](C)C(=O)O 25467a59582a2906ce4ce45146ee1287 [0,1,0,0,0,0|1,0,2]=4 1090 B8R0.8 C=CCO[C@H](C)C(=O)O 0b91c4aaff97cd63715f015c1d0c9e20 [0,1,0,0,0,0|1,0,2]=4 1091 B8R0.8 CC(=O)C(C)COCF c45f8ad47bb47acfc61ca43baa4a6417 [0,1,0,0,0,0|3,0,0]=4 1092 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,1,0,0,0,0|3,0,0]=4 1093 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,1,0,0,0,0|3,0,0]=4 1094 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,1,0,0,0,0|3,0,0]=4 1095 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,1,0,0,0,0|3,0,0]=4 1096 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,1,0,0,0,0|3,0,0]=4 1097 B8R0.8 CC(=O)C(C)OCCF 2400feff3997df18334864838c96453f [0,1,0,0,0,0|3,0,0]=4 1098 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,1,0,0,0,0|3,0,0]=4 1099 B8R0.8 CC(=O)N(C)CCCO f1b608083519b3981f39547632d628d0 [0,1,0,0,0,0|3,0,0]=4 1100 B8R0.8 CC(CNC#N)C(=O)O bf116ef387bf30d93fcd9d2397a5d029 [0,1,0,0,0,0|2,0,1]=4 1101 B8R0.8 CC(CNCF)C(=O)O 81c40ac360e7f6cce7aa3313199a6d5d [0,1,0,0,0,0|2,0,0]=3 1102 B8R0.8 CC(CNCO)C(=O)O e22ad5b294faf2e87974a8321cb31821 [0,1,0,0,0,0|2,0,0]=3 1103 B8R0.8 CC(COCF)C(=O)O 415e8d45727d24f32c3b9f930225f08d [0,1,0,0,0,0|2,0,0]=3 1104 B8R0.8 CC(NCC#N)C(=O)O 7e0caa8ab91252d82a8f6abf878f244d [0,1,0,0,0,0|2,0,1]=4 1105 B8R0.8 CC(NCC=O)C(=O)O 68b69b45ee2126dd65ee50d2916637e9 [0,1,0,0,0,0|2,0,1]=4 1106 B8R0.8 CC(NCCBr)C(=O)N e1b4730b5fd9d92a2dbd4fe63157cabb [0,1,0,0,0,0|3,0,0]=4 1107 B8R0.8 CC(NCCF)C(=O)N 953b8e834ec847c492e06ef848bdb316 [0,1,0,0,0,0|3,0,0]=4 1108 B8R0.8 CC(NCCF)C(=O)O 826059aa4ee48cb4b37668249087cac6 [0,1,0,0,0,0|2,0,0]=3 1109 B8R0.8 CC(NCCI)C(=O)N 7681945bc88c2670e6d790ebc46806ce [0,1,0,0,0,0|3,0,0]=4 1110 B8R0.8 CC(NCCI)C(=O)O dee732c464e42a2d1492bb4c77f9d546 [0,1,0,0,0,0|2,0,0]=3 1111 B8R0.8 CC(NCCO)C(=O)N 013333cfcf1fc8f500c98b282dda89b3 [0,1,0,0,0,0|3,0,0]=4 1112 B8R0.8 CC(NCCO)C(=O)O d02ed597872d2f4c546187db89f2f220 [0,1,0,0,0,0|2,0,0]=3 1113 B8R0.8 CC(NCCS)C(=O)N 572f0555a75dff8d0ea622872a8a561f [0,1,0,0,0,0|3,0,0]=4 1114 B8R0.8 CC(NCCS)C(=O)O c86172ae088a1a89a361e8a05cbb9a1a [0,1,0,0,0,0|2,0,0]=3 1115 B8R0.8 CC(OCC#N)C(=O)O 9e60d39e5d4e06a279fadb11fff707cb [0,1,0,0,0,0|2,0,1]=4 1116 B8R0.8 CC(OCC=O)C(=O)O f7d574d73325531577cc3be3ba579ff3 [0,1,0,0,0,0|2,0,1]=4 1117 B8R0.8 CC(OCCF)C(=O)N 05325469e5b636b3a46e12613a8ebafe [0,1,0,0,0,0|3,0,0]=4 1118 B8R0.8 CC(OCCF)C(=O)O 6fd5e9a19867c7867b238e7d51a1feb1 [0,1,0,0,0,0|2,0,0]=3 1119 B8R0.8 CC(OCCS)C(=O)N becba3e4bd5ddd0256495d0b8cb5436f [0,1,0,0,0,0|3,0,0]=4 1120 B8R0.8 CC(OCCS)C(=O)O c6314cdd016da9ce267602a4c2560a24 [0,1,0,0,0,0|2,0,0]=3 1121 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,1,0,0,0,0|2,0,0]=3 1122 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,1,0,0,0,0|2,0,1]=4 1123 B8R0.8 CCCNC(=O)C(=O)N 13b9d7246a4f43d25f7b6094605e09c1 [0,1,0,0,0,0|2,0,1]=4 1124 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,1,0,0,0,0|2,0,0]=3 1125 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,1,0,0,0,0|2,0,0]=3 1126 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,1,0,0,0,0|1,0,0]=2 1127 B8R0.8 CCCNC(C)C(C)O d6d39af3e50c17151ef5fe5638b0cdf5 [0,1,0,0,0,0|2,0,1]=4 1128 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,1,0,0,0,0|2,0,0]=3 1129 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,1,0,0,0,0|1,0,0]=2 1130 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,1,0,0,0,0|2,0,0]=3 1131 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,1,0,0,0,0|1,0,0]=2 1132 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,1,0,0,0,0|2,0,0]=3 1133 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,1,0,0,0,0|1,0,0]=2 1134 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,1,0,0,0,0|2,0,0]=3 1135 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,1,0,0,0,0|2,0,0]=3 1136 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,1,0,0,0,0|1,0,0]=2 1137 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,1,0,0,0,0|2,0,0]=3 1138 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,1,0,0,0,0|2,0,0]=3 1139 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,1,0,0,0,0|1,0,0]=2 1140 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,1,0,0,0,0|2,0,0]=3 1141 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,1,0,0,0,0|1,0,0]=2 1142 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,1,0,0,0,0|1,0,0]=2 1143 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [0,1,0,0,0,0|1,0,0]=2 1144 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [0,1,0,0,0,0|1,0,0]=2 1145 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,1,0,0,0,0|1,0,0]=2 1146 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [0,1,0,0,0,0|1,0,0]=2 1147 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,1,0,0,0,0|1,0,0]=2 1148 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [0,1,0,0,0,0|1,0,0]=2 1149 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,1,0,0,0,0|2,0,0]=3 1150 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,1,0,0,0,0|1,0,0]=2 1151 B8R0.8 CCOCC(C)[N+](=O)[O-] 1b1cffe18e1cd53903bec7f8cc4fd4b0 [0,1,0,0,0,0|2,0,1]=4 1152 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,1,0,0,0,0|1,0,0]=2 1153 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,1,0,0,0,0|1,0,0]=2 1154 B8R0.8 COCCN(C)C(=O)C 1c56ee19503977f51009b726340315a1 [0,1,0,0,0,0|3,0,0]=4 1155 B8R0.8 COCNC(C)C(=O)N b4b2ce7b06452726f40d29c12e1e2d45 [0,1,0,0,0,0|3,0,0]=4 1156 B8R0.8 COCNC(C)C(=O)O e8a36179375a090804a3295d43a4edc8 [0,1,0,0,0,0|2,0,0]=3 1157 B8R0.8 COCNC(O)C(=O)O c63f3dcbd9e54c8057b6fa82b7adfdd8 [0,1,0,0,0,0|2,0,0]=3 1158 B8R0.8 COCN[C@@H](C)C(=O)N 8b55f42ca22daaaacb13727c1eeadb78 [0,1,0,0,0,0|3,0,0]=4 1159 B8R0.8 COCN[C@@H](C)C(=O)O 97f34448d198c44b13a9de86cde207b4 [0,1,0,0,0,0|2,0,0]=3 1160 B8R0.8 COCN[C@H](C)C(=O)N eb2e7ecb7d7c9931c4aafa21b2d3cf84 [0,1,0,0,0,0|3,0,0]=4 1161 B8R0.8 COCN[C@H](C)C(=O)O aa63150e151b1d92e3b97d3faa08a6a0 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.8 COCOC(C)C(=O)C 9af88437e924837e1175779254d8725f [0,1,0,0,0,0|3,0,0]=4 1163 B8R0.8 COCOC(C)C(=O)N 6aefe489f48a65cd7d148c440618ab78 [0,1,0,0,0,0|3,0,0]=4 1164 B8R0.8 COCOC(F)C(=O)N 98a6ca63ec0ae5ce3f5f79ce7b3d2ebf [0,1,0,0,0,0|3,0,0]=4 1165 B8R0.8 COCO[C@@H](C)C(=O)N 49acefa7331c8c6665c0cba142f65a5a [0,1,0,0,0,0|3,0,0]=4 1166 B8R0.8 COCO[C@H](C)C(=O)N 3b246b4b4317637d3b566960fa55f353 [0,1,0,0,0,0|3,0,0]=4 1167 B8R0.8 CSCCN(C)C(=O)C f3dc0247d8f8741adf15cb67ead23b7f [0,1,0,0,0,0|3,0,0]=4 1168 B8R0.8 CSCNC(C)C(=O)N 09e6b1dc62b63e7473b01cdc2aa52418 [0,1,0,0,0,0|3,0,0]=4 1169 B8R0.8 CSCNC(C)C(=O)O ea815da10516e5245f4fabfad2c1e236 [0,1,0,0,0,0|2,0,0]=3 1170 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,1,0,0,0,0|2,0,0]=3 1171 B8R0.8 CSCN[C@@H](C)C(=O)N b433645c30d8ea8eea7e0c7ef027def3 [0,1,0,0,0,0|3,0,0]=4 1172 B8R0.8 CSCN[C@@H](C)C(=O)O 7e48161f385aeb967c83dfdd3dbc82ac [0,1,0,0,0,0|2,0,0]=3 1173 B8R0.8 CSCN[C@H](C)C(=O)N c7892432661f557a4875bbc0c66dca2f [0,1,0,0,0,0|3,0,0]=4 1174 B8R0.8 CSCN[C@H](C)C(=O)O b9423e8ae3b110bd616b166a6c8e3236 [0,1,0,0,0,0|2,0,0]=3 1175 B8R0.8 CSCOC(C)C(=O)C c95aac72a50d87c47012f14e7a8068b2 [0,1,0,0,0,0|3,0,0]=4 1176 B8R0.8 CSCOC(C)C(=O)N 635f1a0e17addb469496239feb26d434 [0,1,0,0,0,0|3,0,0]=4 1177 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,1,0,0,0,0|2,0,0]=3 1178 B8R0.8 CSCO[C@@H](C)C(=O)N d697806df06282cb5644132872e9ee59 [0,1,0,0,0,0|3,0,0]=4 1179 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,1,0,0,0,0|2,0,0]=3 1180 B8R0.8 CSCO[C@H](C)C(=O)N 52e95303bdf45ec980659949a87a26d8 [0,1,0,0,0,0|3,0,0]=4 1181 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,1,0,0,0,0|2,0,0]=3 1182 B8R0.8 C[C@@H](CNCF)C(=O)O 4d9173719fc4f49e4611760c33799bb2 [0,1,0,0,0,0|2,0,0]=3 1183 B8R0.8 C[C@@H](CNCO)C(=O)O 129419d76dc5f85eaf247a7f67fc6cef [0,1,0,0,0,0|2,0,0]=3 1184 B8R0.8 C[C@@H](COCF)C(=O)O aa505f32f4e5eedb1609c9fa6ceb286b [0,1,0,0,0,0|2,0,0]=3 1185 B8R0.8 C[C@@H](NCC#N)C(=O)O 972d08b332f352aa44c3e39d4ac17eb7 [0,1,0,0,0,0|2,0,1]=4 1186 B8R0.8 C[C@@H](NCC=O)C(=O)O a9f70b757fe4612e75dea21e3835d008 [0,1,0,0,0,0|2,0,1]=4 1187 B8R0.8 C[C@@H](NCCBr)C(=O)N 5f0fef2d25c875361a1c1fb6719cbf97 [0,1,0,0,0,0|3,0,0]=4 1188 B8R0.8 C[C@@H](NCCF)C(=O)N 2c520067e170d47a3eab9e4fbe585908 [0,1,0,0,0,0|3,0,0]=4 1189 B8R0.8 C[C@@H](NCCF)C(=O)O c985c930a75dd7ef32b597383fbe6b60 [0,1,0,0,0,0|2,0,0]=3 1190 B8R0.8 C[C@@H](NCCI)C(=O)N 76a020fa2d2de1a12301f9ed6a01f3a0 [0,1,0,0,0,0|3,0,0]=4 1191 B8R0.8 C[C@@H](NCCI)C(=O)O 8a10c2dc2b0ccfee702f35e3cbddbf0d [0,1,0,0,0,0|2,0,0]=3 1192 B8R0.8 C[C@@H](NCCO)C(=O)N 11b4a7b8afa7b38c3221de9b75563071 [0,1,0,0,0,0|3,0,0]=4 1193 B8R0.8 C[C@@H](NCCO)C(=O)O 773cefab23e4277c3fec27f25db9fd3e [0,1,0,0,0,0|2,0,0]=3 1194 B8R0.8 C[C@@H](NCCS)C(=O)N eaed8a8bc3443962f8e57846d7a55f89 [0,1,0,0,0,0|3,0,0]=4 1195 B8R0.8 C[C@@H](NCCS)C(=O)O 19d484937376b7d19ec4ad31c032ffd8 [0,1,0,0,0,0|2,0,0]=3 1196 B8R0.8 C[C@@H](OCC#N)C(=O)O c705a7a20d6bb82ff2eff911b8d9b552 [0,1,0,0,0,0|2,0,1]=4 1197 B8R0.8 C[C@@H](OCC=O)C(=O)O ec661864679508fe308079c34ba0d948 [0,1,0,0,0,0|2,0,1]=4 1198 B8R0.8 C[C@@H](OCCF)C(=O)N d40441105176013d30c8b95424c00d97 [0,1,0,0,0,0|3,0,0]=4 1199 B8R0.8 C[C@@H](OCCF)C(=O)O c9253212131f04406411165ed9fada60 [0,1,0,0,0,0|2,0,0]=3 1200 B8R0.8 C[C@@H](OCCS)C(=O)N 88943ada137c1f0b099f509dc8869f73 [0,1,0,0,0,0|3,0,0]=4 1201 B8R0.8 C[C@@H](OCCS)C(=O)O ac3bfc55d41f7a030484bfd593511e60 [0,1,0,0,0,0|2,0,0]=3 1202 B8R0.8 C[C@H](CNCF)C(=O)O 9d81b94206f75ee21b4db163708e8702 [0,1,0,0,0,0|2,0,0]=3 1203 B8R0.8 C[C@H](CNCO)C(=O)O 722d39fe0a80aec373909ca981cc2ac2 [0,1,0,0,0,0|2,0,0]=3 1204 B8R0.8 C[C@H](COCF)C(=O)O 45766ea01c28bb0aca00c5be08dc9be3 [0,1,0,0,0,0|2,0,0]=3 1205 B8R0.8 C[C@H](NCC#N)C(=O)O e4147ba99646ec3a91b79b66bb7623a1 [0,1,0,0,0,0|2,0,1]=4 1206 B8R0.8 C[C@H](NCC=O)C(=O)O 8f3e3a2e655b122b5dbf67e5312baae9 [0,1,0,0,0,0|2,0,1]=4 1207 B8R0.8 C[C@H](NCCBr)C(=O)N c654f0586f8c23ee904ea4efbdaa6282 [0,1,0,0,0,0|3,0,0]=4 1208 B8R0.8 C[C@H](NCCF)C(=O)N e75d3c5e3e987293ab038f42699088fd [0,1,0,0,0,0|3,0,0]=4 1209 B8R0.8 C[C@H](NCCF)C(=O)O fd1f98b23619529732be37e8295a849a [0,1,0,0,0,0|2,0,0]=3 1210 B8R0.8 C[C@H](NCCI)C(=O)N 67fe932a80a9eec1720ad4855692ad60 [0,1,0,0,0,0|3,0,0]=4 1211 B8R0.8 C[C@H](NCCI)C(=O)O 14879b70406900d3b9c0aef15c8804ba [0,1,0,0,0,0|2,0,0]=3 1212 B8R0.8 C[C@H](NCCO)C(=O)N ead3141575cb05538a172d8fe0fd315f [0,1,0,0,0,0|3,0,0]=4 1213 B8R0.8 C[C@H](NCCO)C(=O)O 76808623850f5a1065c978caf5c977ca [0,1,0,0,0,0|2,0,0]=3 1214 B8R0.8 C[C@H](NCCS)C(=O)N 66f3a08d77bb976c0eb5f803b01afeb5 [0,1,0,0,0,0|3,0,0]=4 1215 B8R0.8 C[C@H](NCCS)C(=O)O f9c7d821f3499388f2c0c427911263cd [0,1,0,0,0,0|2,0,0]=3 1216 B8R0.8 C[C@H](OCC#N)C(=O)O ba12b08c57ed09456d47d6e99832077b [0,1,0,0,0,0|2,0,1]=4 1217 B8R0.8 C[C@H](OCC=O)C(=O)O 4ebe59700e459820040abe9c03f70752 [0,1,0,0,0,0|2,0,1]=4 1218 B8R0.8 C[C@H](OCCF)C(=O)N 4e9bb5644f38dd86d9dd9823a1b49742 [0,1,0,0,0,0|3,0,0]=4 1219 B8R0.8 C[C@H](OCCF)C(=O)O 743b16156cee7adc3f15423098970a5c [0,1,0,0,0,0|2,0,0]=3 1220 B8R0.8 C[C@H](OCCS)C(=O)N b69b46e96c27664eee2ef8d1ebb4d82d [0,1,0,0,0,0|3,0,0]=4 1221 B8R0.8 C[C@H](OCCS)C(=O)O b485ed5c5773edd40292f7e36c453e29 [0,1,0,0,0,0|2,0,0]=3 1222 B8R0.8 N#CCNC(O)C(=O)O eec7ef83cf88af6ac7f289ccc2020fe0 [0,1,0,0,0,0|2,0,1]=4 1223 B8R0.8 N#CNCC(O)C(=O)O 0943bc10363ee8c75700054dcf2c9843 [0,1,0,0,0,0|2,0,1]=4 1224 B8R0.8 N#CNC[C@H](O)C(=O)O c374ceb0d5a55141801d235bcfbf9087 [0,1,0,0,0,0|2,0,1]=4 1225 B8R0.8 NC(=O)C(F)NCCBr 7b2f59324313e93e737f5e8d44c95a2c [0,1,0,0,0,0|3,0,0]=4 1226 B8R0.8 NC(=O)C(F)NCCI 4fa570523e6226333623796420bfec05 [0,1,0,0,0,0|3,0,0]=4 1227 B8R0.8 NC(=O)C(F)NCCO 8ea465c04b3d341359f3e0754df88307 [0,1,0,0,0,0|3,0,0]=4 1228 B8R0.8 NC(=O)C(F)OCCS 5172c9b0bf8c5357fae11cb57618deab [0,1,0,0,0,0|3,0,0]=4 1229 B8R0.8 O=C(O)C(F)CNCF f1a9030b4e84b2808ed1cc96323a1748 [0,1,0,0,0,0|2,0,0]=3 1230 B8R0.8 O=C(O)C(F)CNCO c5cb63252e280c78105d540035d06dac [0,1,0,0,0,0|2,0,0]=3 1231 B8R0.8 O=C(O)C(O)CNCF b50e1442b5c6266934863854576a8d3d [0,1,0,0,0,0|2,0,0]=3 1232 B8R0.8 O=C(O)C(O)CNCO 898dc7e3ebc74408e9fbb99b51d98f75 [0,1,0,0,0,0|2,0,0]=3 1233 B8R0.8 O=C(O)C(O)NCCF f448ef4ffbf11843dbee1bb8436d2a0c [0,1,0,0,0,0|2,0,0]=3 1234 B8R0.8 O=C(O)C(O)NCCO 698911e1d3457f5b9e37a340d950957a [0,1,0,0,0,0|2,0,0]=3 1235 B8R0.8 O=C(O)C(O)NCCS 5346421c4abaa0529702e1282d1c5a95 [0,1,0,0,0,0|2,0,0]=3 1236 B8R0.8 O=C(O)[C@@H](O)CNCF dfc3ee5c735555d7aca49144f695826d [0,1,0,0,0,0|2,0,0]=3 1237 B8R0.8 O=C(O)[C@@H](O)CNCO cdd1082cc3946b226b2ffbc1066fef89 [0,1,0,0,0,0|2,0,0]=3 1238 B8R0.8 O=C(O)[C@H](O)CNCF 5dbad60ab052faf0f2f5f615bfe59344 [0,1,0,0,0,0|2,0,0]=3 1239 B8R0.8 O=C(O)[C@H](O)CNCO 71211b0d7c7b20837b97e49988848369 [0,1,0,0,0,0|2,0,0]=3 1240 B8R0.8 O=CCNC(O)C(=O)O 8520717b1a1e11d4c35b09a14aaf7e93 [0,1,0,0,0,0|2,0,1]=4 1241 B8R0.9 C#CC(C)NCC(=O)O 6d3e097d7e417cba1ca3cc5354bf3682 [0,1,0,0,0,0|1,0,2]=4 1242 B8R0.9 C#CC(C)OCC(=O)O 86945981ae8eaaa778f83ec3ae4ff391 [0,1,0,0,0,0|1,0,2]=4 1243 B8R0.9 C#C[C@@H](C)NCC(=O)O 870b1440fbecf6ad620d6ff4e4eac50b [0,1,0,0,0,0|1,0,2]=4 1244 B8R0.9 C#C[C@@H](C)OCC(=O)O 9bbfddfb8eea4f6aea8d08313b189ed8 [0,1,0,0,0,0|1,0,2]=4 1245 B8R0.9 C#C[C@H](C)NCC(=O)O 3c98bce4a0db3f45a27121a2c37598a6 [0,1,0,0,0,0|1,0,2]=4 1246 B8R0.9 C#C[C@H](C)OCC(=O)O 33b89dc76124892fb33f6382d6c567d7 [0,1,0,0,0,0|1,0,2]=4 1247 B8R0.9 C=C(Br)CNC(C)CC e82847dcad9ed2bd533fd2563c3b519d [0,1,0,0,0,0|3,0,0]=4 1248 B8R0.9 C=C(Br)CN[C@@H](C)CC 37f7a7e42f3e467987064f3f419e144d [0,1,0,0,0,0|3,0,0]=4 1249 B8R0.9 C=C(Br)CN[C@H](C)CC 1b5c6508d8f52572aaaac189914383ff [0,1,0,0,0,0|3,0,0]=4 1250 B8R0.9 C=C(Br)COC(C)CC 49feeff7986d6ae4fb296a8afe6d8ffc [0,1,0,0,0,0|3,0,0]=4 1251 B8R0.9 C=C(Br)CO[C@@H](C)CC 868ef2581d68bb1b094a2fa1f8b58132 [0,1,0,0,0,0|3,0,0]=4 1252 B8R0.9 C=C(Br)CO[C@H](C)CC 896e023f3f172d1a0521ca41c722cbcb [0,1,0,0,0,0|3,0,0]=4 1253 B8R0.9 C=C(C)CCN(C)CC 975bc598c990d4455049b666e0eec143 [0,1,0,0,0,0|3,0,0]=4 1254 B8R0.9 C=C(C)CNC(C)CC 256f62cec490bafed043741999c25df4 [0,1,0,0,0,0|3,0,0]=4 1255 B8R0.9 C=C(C)CN[C@@H](C)CC d26c3d64a9f189169a5866d4e2b497b9 [0,1,0,0,0,0|3,0,0]=4 1256 B8R0.9 C=C(C)CN[C@H](C)CC 63a0b508416fa3ab231e5f743622aa6e [0,1,0,0,0,0|3,0,0]=4 1257 B8R0.9 C=C(C)COC(C)CC 4482bd721211f848f89897698cdef93d [0,1,0,0,0,0|3,0,0]=4 1258 B8R0.9 C=C(C)CO[C@@H](C)CC 1f8fa1d6bc957d679b02c8c39dd68048 [0,1,0,0,0,0|3,0,0]=4 1259 B8R0.9 C=C(C)CO[C@H](C)CC 4903f87f8690f044163b36d5c736143f [0,1,0,0,0,0|3,0,0]=4 1260 B8R0.9 C=C(Cl)CNC(C)CC 076dd5595da9764c1f8638621b66326f [0,1,0,0,0,0|3,0,0]=4 1261 B8R0.9 C=C(Cl)CN[C@@H](C)CC 6844b9915d30cf390d84dd923074ff78 [0,1,0,0,0,0|3,0,0]=4 1262 B8R0.9 C=C(Cl)CN[C@H](C)CC 00f99e20e2c66def762893e8ac89e470 [0,1,0,0,0,0|3,0,0]=4 1263 B8R0.9 C=C(Cl)COC(C)CC 683db6dee4558a7fd0cf1ddd08de7466 [0,1,0,0,0,0|3,0,0]=4 1264 B8R0.9 C=C(Cl)CO[C@@H](C)CC f1b2ffe2d8a3606ba8db6452fbde499c [0,1,0,0,0,0|3,0,0]=4 1265 B8R0.9 C=C(Cl)CO[C@H](C)CC e33ef1408b617f755d53e1b85c1dd1a5 [0,1,0,0,0,0|3,0,0]=4 1266 B8R0.9 C=C(I)COC(C)CC 1c02165e4082ec06ba2c7744789ae92c [0,1,0,0,0,0|3,0,0]=4 1267 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,1,0,0,0,0|1,0,2]=4 1268 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,1,0,0,0,0|1,0,2]=4 1269 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,1,0,0,0,0|1,0,2]=4 1270 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,1,0,0,0,0|3,0,0]=4 1271 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,1,0,0,0,0|3,0,0]=4 1272 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,1,0,0,0,0|3,0,0]=4 1273 B8R0.9 CC(=O)NCC(Br)CBr 026233203db163de359d5c31f32507c5 [0,1,0,0,0,0|3,0,0]=4 1274 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,1,0,0,0,0|3,0,0]=4 1275 B8R0.9 CC(=O)NCC(F)CO b8843bcee854bfdd401231e90b011422 [0,1,0,0,0,0|3,0,0]=4 1276 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,1,0,0,0,0|3,0,0]=4 1277 B8R0.9 CC(=O)NC[C@@H](F)CO 964c0a882da1253a8b823c85e90b43d9 [0,1,0,0,0,0|3,0,0]=4 1278 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,1,0,0,0,0|3,0,0]=4 1279 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,1,0,0,0,0|3,0,0]=4 1280 B8R0.9 CC(=O)NC[C@H](F)CO 938a8d1e230afccbf699e7334f08d345 [0,1,0,0,0,0|3,0,0]=4 1281 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,1,0,0,0,0|3,0,0]=4 1282 B8R0.9 CC(C#N)NCC(=O)O b4dc74a9f9a0e75fffde2f481c0af544 [0,1,0,0,0,0|2,0,1]=4 1283 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,1,0,0,0,0|2,0,1]=4 1284 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,1,0,0,0,0|2,0,1]=4 1285 B8R0.9 CC(CF)OCC(=O)N 85ec4187286fdad5a9553ca5e7cee35f [0,1,0,0,0,0|3,0,0]=4 1286 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,1,0,0,0,0|2,0,0]=3 1287 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,1,0,0,0,0|3,0,0]=4 1288 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,1,0,0,0,0|2,0,0]=3 1289 B8R0.9 CC(CS)OCC(=O)N b11e299a771877421c46b123080a3ea9 [0,1,0,0,0,0|3,0,0]=4 1290 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,1,0,0,0,0|2,0,0]=3 1291 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,1,0,0,0,0|2,0,1]=4 1292 B8R0.9 CCC(=O)NCC(=O)N 07cfd3edf39ace2eb27c9b7f36ff92b5 [0,1,0,0,0,0|2,0,1]=4 1293 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,1,0,0,0,0|2,0,0]=3 1294 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,1,0,0,0,0|2,0,0]=3 1295 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,1,0,0,0,0|2,0,0]=3 1296 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,1,0,0,0,0|1,0,0]=2 1297 B8R0.9 CCC(C)NCC(C)O 04be39588a5f09c70c74f1ca60cd63ac [0,1,0,0,0,0|2,0,1]=4 1298 B8R0.9 CCC(C)NC[C@@H](C)O 6e798d5c3d31a8f8773bcdb1d14bb58f [0,1,0,0,0,0|2,0,1]=4 1299 B8R0.9 CCC(C)NC[C@H](C)O b6ed82170374565ef8a62802ade9580c [0,1,0,0,0,0|2,0,1]=4 1300 B8R0.9 CCC(C)NC[N+](=O)[O-] e9f660b74a6c0107f128f338922566a2 [0,1,0,0,0,0|2,0,1]=4 1301 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,1,0,0,0,0|2,0,0]=3 1302 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,1,0,0,0,0|2,0,0]=3 1303 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,1,0,0,0,0|1,0,0]=2 1304 B8R0.9 CCC(C)OCC(=S)N 6b597837cee3e8ac97ffdee12a28c691 [0,1,0,0,0,0|2,1,0]=4 1305 B8R0.9 CCC(C)OCS(=O)O 218f2e14527146233901e95c42e5bea0 [0,1,0,0,0,0|2,0,0]=3 1306 B8R0.9 CCC(C)OC[N+](=O)[O-] ce29daa7a1531741c15d172651ff45bc [0,1,0,0,0,0|2,0,1]=4 1307 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,1,0,0,0,0|2,0,0]=3 1308 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,1,0,0,0,0|2,0,0]=3 1309 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,1,0,0,0,0|2,0,0]=3 1310 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,1,0,0,0,0|1,0,0]=2 1311 B8R0.9 CCN(C)CCC(C)O 4308bf1a991d7ca66cadc45942e7cdad [0,1,0,0,0,0|2,0,1]=4 1312 B8R0.9 CCN(C)CCS(=O)C 181957332795259e7c2d453ef9f3db35 [0,1,0,0,0,0|3,0,0]=4 1313 B8R0.9 CCN(C)COC(=O)C 662418b9fd851b02bfa0c21ae20e504d [0,1,0,0,0,0|3,0,0]=4 1314 B8R0.9 CCN(C)CSC(=O)N adc277bb406ecaf954503ab4cdfcb5b9 [0,1,0,0,0,0|3,0,0]=4 1315 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,1,0,0,0,0|2,0,0]=3 1316 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,1,0,0,0,0|1,0,0]=2 1317 B8R0.9 CC[C@@H](C)NCC(C)O 2677141b66bad4e2c96cd57b714806ea [0,1,0,0,0,0|2,0,1]=4 1318 B8R0.9 CC[C@@H](C)NC[C@@H](C)O 259bc8325537e1de1a944df75fdf21f1 [0,1,0,0,0,0|2,0,1]=4 1319 B8R0.9 CC[C@@H](C)NC[C@H](C)O 939311d357bc0680fabba2ce4e70d859 [0,1,0,0,0,0|2,0,1]=4 1320 B8R0.9 CC[C@@H](C)NC[N+](=O)[O-] 196855ed8a578e4d6ce39740ba6a0275 [0,1,0,0,0,0|2,0,1]=4 1321 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,1,0,0,0,0|2,0,0]=3 1322 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,1,0,0,0,0|1,0,0]=2 1323 B8R0.9 CC[C@@H](C)OC[N+](=O)[O-] 3415ab0ca8c4567cbd4a2ab0de4e9f06 [0,1,0,0,0,0|2,0,1]=4 1324 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,1,0,0,0,0|2,0,0]=3 1325 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,1,0,0,0,0|2,0,0]=3 1326 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,1,0,0,0,0|2,0,0]=3 1327 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,1,0,0,0,0|1,0,0]=2 1328 B8R0.9 CC[C@H](C)NCC(C)O 99099c99fd14ec2545d713f92de4a778 [0,1,0,0,0,0|2,0,1]=4 1329 B8R0.9 CC[C@H](C)NC[C@@H](C)O 12a96eae09dd452a73c94b544346a630 [0,1,0,0,0,0|2,0,1]=4 1330 B8R0.9 CC[C@H](C)NC[C@H](C)O 4c33e4d27654f70efbcc25d8010eeae9 [0,1,0,0,0,0|2,0,1]=4 1331 B8R0.9 CC[C@H](C)NC[N+](=O)[O-] 235d75636034ba6aeae1eb82d8162dd7 [0,1,0,0,0,0|2,0,1]=4 1332 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,1,0,0,0,0|2,0,0]=3 1333 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,1,0,0,0,0|1,0,0]=2 1334 B8R0.9 CC[C@H](C)OC[N+](=O)[O-] 877aace2ab2b46fdfe559ad10cf92335 [0,1,0,0,0,0|2,0,1]=4 1335 B8R0.9 CN(CF)CCC(=O)N 6d094d2271b3869e64c635a327791e7d [0,1,0,0,0,0|3,0,0]=4 1336 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,1,0,0,0,0|2,0,0]=3 1337 B8R0.9 CN(CO)CCC(=O)N e23409c848954f75cfbaa958caecdeb6 [0,1,0,0,0,0|3,0,0]=4 1338 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,1,0,0,0,0|2,0,0]=3 1339 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,1,0,0,0,0|3,0,0]=4 1340 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,1,0,0,0,0|3,0,0]=4 1341 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,1,0,0,0,0|3,0,0]=4 1342 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,1,0,0,0,0|2,0,0]=3 1343 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,1,0,0,0,0|2,0,1]=4 1344 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,1,0,0,0,0|2,0,1]=4 1345 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,1,0,0,0,0|3,0,0]=4 1346 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,1,0,0,0,0|2,0,0]=3 1347 B8R0.9 C[C@H](CS)OCC(=O)N 99b35c1160d6521244a3a6571fb38a94 [0,1,0,0,0,0|3,0,0]=4 1348 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,1,0,0,0,0|2,0,0]=3 1349 B8R0.21 CCCNCC(C)(C)O 18de978f243abf958b8fb4be676e0386 [0,1,0,0,0,0|2,0,1]=4 1350 B8R0.21 CCCNCS(=O)(=O)C 0c5ac4b5c3470daba42966bdd3f646a9 [0,1,0,0,0,0|2,0,1]=4 1351 B8R0.21 CCCNCS(=O)(=O)O c0c272cba9e882210fb295ca9f24006a [0,1,0,0,0,0|2,0,0]=3 1352 B8R0.21 CCCOCC(C)(C)O 1864f457114911e4333323706aaf3c13 [0,1,0,0,0,0|2,0,1]=4 1353 B8R0.21 CCCOCS(=O)(=O)C 432b2a9bb367cc63d3832a09eed3d2d9 [0,1,0,0,0,0|2,0,1]=4 1354 B8R0.21 CCNCCC(C)(C)O 7d616527998e37b4e6709c30ce776bec [0,1,0,0,0,0|2,0,1]=4 1355 B8R0.21 CCNCCS(=O)(=O)C e43bf84c2c33da0607bb89ff5a969bd7 [0,1,0,0,0,0|2,0,1]=4 1356 B8R0.21 CCNCCS(=O)(=O)N ef6272ee141bac41a66a95e64fdf318c [0,1,0,0,0,0|2,0,1]=4 1357 B8R0.21 CCNCCS(=O)(=O)O 2a00cc1ab8033a535223ac3984606ce9 [0,1,0,0,0,0|2,0,0]=3 1358 B8R0.21 CCOCCS(=N)(=O)C 7d172d8392597cc891bea17b5e99219f [0,1,0,0,0,0|3,0,0]=4 1359 B8R0.21 CCOCCS(=O)(=O)C 23fca17b909b52d4a7188ab3cd634626 [0,1,0,0,0,0|2,0,1]=4 1360 B8R0.21 CCOCCS(=O)(=O)N 035717f3b35387b75ce95570ee3addcc [0,1,0,0,0,0|2,0,1]=4 1361 B8R0.21 CCOCCS(=O)(=O)O 2698595bcb393ca998eedd4abca0a0be [0,1,0,0,0,0|2,0,0]=3 1362 B8R0.21 COCNCS(=O)(=O)O 600274e93e85848d32ae4fe058f055b1 [0,1,0,0,0,0|3,0,0]=4 1363 B8R0.21 CSCNCS(=O)(=O)O 62363713e894550100cea6b057608371 [0,1,0,0,0,0|3,0,0]=4 1364 B8R0.21 O=S(=O)(O)CCNCF 64721f07afe8803d68db9f095e41b240 [0,1,0,0,0,0|3,0,0]=4 1365 B8R0.21 O=S(=O)(O)CCNCO 2bf5c62c4ea2b6b7b699878157d83fbc [0,1,0,0,0,0|3,0,0]=4 1366 B8R0.21 O=S(=O)(O)CCOCF f0e9c029664c3637e20f92a702ad5e93 [0,1,0,0,0,0|3,0,0]=4 1367 B8R0.21 O=S(=O)(O)CNCCBr 39384781ab8ced3c46e702ed1a016fa0 [0,1,0,0,0,0|3,0,0]=4 1368 B8R0.21 O=S(=O)(O)CNCCF 518e304fb04a6d64296eeff3e3703547 [0,1,0,0,0,0|3,0,0]=4 1369 B8R0.21 O=S(=O)(O)CNCCI 980de2793553854b7b80f9bc404c21ae [0,1,0,0,0,0|3,0,0]=4 1370 B8R0.21 O=S(=O)(O)CNCCO 21a8a84caaf2ec0426f64a432c6ccee3 [0,1,0,0,0,0|3,0,0]=4 1371 B8R0.21 O=S(=O)(O)CNCCS dd21da3dfbd433caf9bcaab91f5648b2 [0,1,0,0,0,0|3,0,0]=4 1372 B8R0.28 C=C(Br)CCOC(C)C ebda5fee130a250b1943610fb0d4dd32 [0,1,0,0,0,0|3,0,0]=4 1373 B8R0.28 C=C(Br)CNCC(=O)O 05b7dbb61d35e1c0bd7bb81a555d18bd [0,1,0,0,0,0|1,0,2]=4 1374 B8R0.28 C=C(Br)CNCC(C)C c8a2223ad4fb68f566d748ff6bcd2335 [0,1,0,0,0,0|3,0,0]=4 1375 B8R0.28 C=C(Br)CNCC(C)O 9fb88a0948d2e5bdf12f9b78629816f0 [0,1,0,0,0,0|3,0,0]=4 1376 B8R0.28 C=C(Br)CNC[C@@H](C)O 843a61826fe7455ba2b3f5f07151d5c5 [0,1,0,0,0,0|3,0,0]=4 1377 B8R0.28 C=C(Br)CNC[C@H](C)O 0daca7fb153be7ef914c69654154289c [0,1,0,0,0,0|3,0,0]=4 1378 B8R0.28 C=C(Br)COCC(=O)O e8e184098bedf613b29dafbf59df235c [0,1,0,0,0,0|1,0,2]=4 1379 B8R0.28 C=C(Br)COCC(C)C c1a78a7a2c4ff68938dbedaa96847100 [0,1,0,0,0,0|3,0,0]=4 1380 B8R0.28 C=C(Br)COCC(C)F b0209b846482ec13554c5f7687483f1b [0,1,0,0,0,0|3,0,0]=4 1381 B8R0.28 C=C(Br)COCC(C)S 59a4c218fcd80f88461a0ff6dd60ec46 [0,1,0,0,0,0|3,0,0]=4 1382 B8R0.28 C=C(Br)COC[C@@H](C)F f947b6703085d644911606e1fcdb6ac9 [0,1,0,0,0,0|3,0,0]=4 1383 B8R0.28 C=C(Br)COC[C@H](C)F 28761d7a3fdbf074463c72fb1bffc776 [0,1,0,0,0,0|3,0,0]=4 1384 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,1,0,0,0,0|2,0,1]=4 1385 B8R0.28 C=C(C)CCNC(C)C 743b41619695d9f1ae0496c6310ea6bc [0,1,0,0,0,0|3,0,0]=4 1386 B8R0.28 C=C(C)CCOC(C)C 69cc10ae5801e38a3d14074626c7f435 [0,1,0,0,0,0|3,0,0]=4 1387 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,1,0,0,0,0|2,0,1]=4 1388 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [0,1,0,0,0,0|2,0,1]=4 1389 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,1,0,0,0,0|1,0,1]=3 1390 B8R0.28 C=C(C)CNCC(C)C 67c871a24d86e1667f16c08c29255d90 [0,1,0,0,0,0|3,0,0]=4 1391 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,1,0,0,0,0|3,0,0]=4 1392 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,1,0,0,0,0|3,0,0]=4 1393 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,1,0,0,0,0|3,0,0]=4 1394 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [0,1,0,0,0,0|2,0,1]=4 1395 B8R0.28 C=C(C)COCC(=O)N 2e0576688aeeb2ae46f807ab3429eaee [0,1,0,0,0,0|2,0,1]=4 1396 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,1,0,0,0,0|1,0,1]=3 1397 B8R0.28 C=C(C)COCC(C)C 4b7379c6d79f87e4ea0cd366985a2d99 [0,1,0,0,0,0|3,0,0]=4 1398 B8R0.28 C=C(C)COCC(C)F a795756f8a49e558cd74e3b29b74a2d5 [0,1,0,0,0,0|3,0,0]=4 1399 B8R0.28 C=C(C)COCC(C)S 662040e79d7dc5c45fcfe22fcc5b8e8f [0,1,0,0,0,0|3,0,0]=4 1400 B8R0.28 C=C(C)COCS(=O)O a8428e5ac296d31c343bfaabd9a1be0e [0,1,0,0,0,0|2,0,1]=4 1401 B8R0.28 C=C(C)COC[C@@H](C)F fa9677698904873ff03c9c575f62d5d5 [0,1,0,0,0,0|3,0,0]=4 1402 B8R0.28 C=C(C)COC[C@H](C)F 15d5f151204078319cecfaf717305158 [0,1,0,0,0,0|3,0,0]=4 1403 B8R0.28 C=C(Cl)CNCC(=O)O 0ea0d61f8e1c4c420d416d9dc1a60953 [0,1,0,0,0,0|1,0,2]=4 1404 B8R0.28 C=C(Cl)CNCC(C)C 133a90dc6fd28ed81828592e584bc629 [0,1,0,0,0,0|3,0,0]=4 1405 B8R0.28 C=C(Cl)CNCC(C)O 5723a59eceb538443c101fe4a14a018e [0,1,0,0,0,0|3,0,0]=4 1406 B8R0.28 C=C(Cl)CNC[C@@H](C)O f53fddb474e2270f7fa67d391d9fef18 [0,1,0,0,0,0|3,0,0]=4 1407 B8R0.28 C=C(Cl)CNC[C@H](C)O dfc3eeb46d1a4de13fa18f5be91bff05 [0,1,0,0,0,0|3,0,0]=4 1408 B8R0.28 C=C(Cl)COCC(=O)O ee8599d3a22727e83bdc3c798e5397dc [0,1,0,0,0,0|1,0,2]=4 1409 B8R0.28 C=C(Cl)COCC(C)C 184574507b3b98e3e54e734161d68e3a [0,1,0,0,0,0|3,0,0]=4 1410 B8R0.28 C=C(Cl)COCC(C)F 3672477a94dfe298e147906214194efb [0,1,0,0,0,0|3,0,0]=4 1411 B8R0.28 C=C(Cl)COCC(C)S 0cde86527f8008c2fda8216e5a450f51 [0,1,0,0,0,0|3,0,0]=4 1412 B8R0.28 C=C(Cl)COC[C@@H](C)F 45a4ba031257a3435429fea4629ead14 [0,1,0,0,0,0|3,0,0]=4 1413 B8R0.28 C=C(Cl)COC[C@H](C)F 69c1e58e6436849f5b1d73777f2da4e5 [0,1,0,0,0,0|3,0,0]=4 1414 B8R0.28 C=C(F)CNCC(=O)O aab76ef26695cab61ed52383b845bb72 [0,1,0,0,0,0|1,0,2]=4 1415 B8R0.28 C=C(F)CNCC(C)C cf657ab8bf1ba535863f8b8fe0d19e9c [0,1,0,0,0,0|3,0,0]=4 1416 B8R0.28 C=C(F)CNCC(C)O bc993c0f4fc07f9dd2d0a6e11268cc9c [0,1,0,0,0,0|3,0,0]=4 1417 B8R0.28 C=C(F)CNC[C@@H](C)O 22a4aa447954801f083163f99675e6c7 [0,1,0,0,0,0|3,0,0]=4 1418 B8R0.28 C=C(F)CNC[C@H](C)O aacdff2ab85fae1372e6021530c115ca [0,1,0,0,0,0|3,0,0]=4 1419 B8R0.28 C=C(F)COCC(=O)O f5776b84ba2c7eb610e1eea7ce1c5fab [0,1,0,0,0,0|1,0,2]=4 1420 B8R0.28 C=C(F)COCC(C)C 232c1ccf078910d1e8ccc5380c172d54 [0,1,0,0,0,0|3,0,0]=4 1421 B8R0.28 C=C(F)COCC(C)F 26c6e1cb2a9d3c24cbbfecf3e07dc683 [0,1,0,0,0,0|3,0,0]=4 1422 B8R0.28 C=C(F)COCC(C)S 35fd13181a6ed68684fcd5c2a6d2b661 [0,1,0,0,0,0|3,0,0]=4 1423 B8R0.28 C=C(F)COC[C@@H](C)F 26b034ca9d303603e1f63957ade04ba6 [0,1,0,0,0,0|3,0,0]=4 1424 B8R0.28 C=C(F)COC[C@H](C)F cde0955c2f48607017b18b013ae59969 [0,1,0,0,0,0|3,0,0]=4 1425 B8R0.28 C=C(I)COCC(=O)O 52bbc10c521352de8ec4983b6d539a87 [0,1,0,0,0,0|1,0,2]=4 1426 B8R0.28 C=C(I)COCC(C)C fe07220c9926e6770dfe26662ad9f2d0 [0,1,0,0,0,0|3,0,0]=4 1427 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,1,0,0,0,0|2,0,0]=3 1428 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,1,0,0,0,0|2,0,1]=4 1429 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,1,0,0,0,0|1,0,1]=3 1430 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,1,0,0,0,0|2,0,0]=3 1431 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,1,0,0,0,0|2,0,0]=3 1432 B8R0.28 CC(=O)CNCC(F)F 040d59234b7876c01745adf80e5ff725 [0,1,0,0,0,0|3,0,0]=4 1433 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,1,0,0,0,0|3,0,0]=4 1434 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,1,0,0,0,0|2,0,0]=3 1435 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,1,0,0,0,0|2,0,0]=3 1436 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [0,1,0,0,0,0|2,0,1]=4 1437 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,1,0,0,0,0|1,0,1]=3 1438 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,1,0,0,0,0|2,0,0]=3 1439 B8R0.28 CC(=O)COCC(F)F 1c8a3357ef90b18ca0f3f98579cdfed3 [0,1,0,0,0,0|3,0,0]=4 1440 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,1,0,0,0,0|3,0,0]=4 1441 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,1,0,0,0,0|2,0,1]=4 1442 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,1,0,0,0,0|2,0,0]=3 1443 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,1,0,0,0,0|2,0,0]=3 1444 B8R0.28 CC(=O)NCCC(F)F 4173536c2fddb4363b9de4250b8bab34 [0,1,0,0,0,0|3,0,0]=4 1445 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,1,0,0,0,0|3,0,0]=4 1446 B8R0.28 CC(=O)NCCS(=O)C f793348c68f8cf140d26df72f9958533 [0,1,0,0,0,0|3,0,0]=4 1447 B8R0.28 CC(=O)NCCS(=O)O 7023ecca400195c2464a327147893c5f [0,1,0,0,0,0|2,0,1]=4 1448 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,1,0,0,0,0|2,0,0]=3 1449 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,1,0,0,0,0|2,0,0]=3 1450 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,1,0,0,0,0|3,0,0]=4 1451 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,1,0,0,0,0|3,0,0]=4 1452 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,1,0,0,0,0|2,0,0]=3 1453 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,1,0,0,0,0|1,0,0]=2 1454 B8R0.28 CC(C)CNCC(C)O f8d531c214571702a8653351806334e8 [0,1,0,0,0,0|2,0,1]=4 1455 B8R0.28 CC(C)CNC[C@@H](C)O 4626559d474fbd5d133e353e8138e591 [0,1,0,0,0,0|2,0,1]=4 1456 B8R0.28 CC(C)CNC[C@H](C)O 5c0fd92b864c5a52f9fd6fbeaf433485 [0,1,0,0,0,0|2,0,1]=4 1457 B8R0.28 CC(C)CNC[N+](=O)[O-] e5f388f51900fde81f64a7b5204f667c [0,1,0,0,0,0|2,0,1]=4 1458 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,1,0,0,0,0|2,0,0]=3 1459 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,1,0,0,0,0|1,0,0]=2 1460 B8R0.28 CC(C)COCC(=S)N 55b2e4b0740851f871d2f97589a87dae [0,1,0,0,0,0|2,1,0]=4 1461 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,1,0,0,0,0|2,0,0]=3 1462 B8R0.28 CC(C)COC[N+](=O)[O-] 47f94b331a22180dd9beb857af40f67d [0,1,0,0,0,0|2,0,1]=4 1463 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,1,0,0,0,0|2,0,0]=3 1464 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,1,0,0,0,0|1,0,0]=2 1465 B8R0.28 CC(C)NCCC(=S)N dd4f1fea922619b4f6e264931f2d243c [0,1,0,0,0,0|2,1,0]=4 1466 B8R0.28 CC(C)NCCS(=O)C 98cd73f96f71cf5f44c565cd7f7e7b57 [0,1,0,0,0,0|3,0,0]=4 1467 B8R0.28 CC(C)NCCS(=O)O 263a3deff9fb38c3a098f5239db29a80 [0,1,0,0,0,0|2,0,0]=3 1468 B8R0.28 CC(C)NCC[C@@H](C)O 22fd34c721310950afa2eb5fa7b9be25 [0,1,0,0,0,0|2,0,1]=4 1469 B8R0.28 CC(C)NCC[C@H](C)O 49b6367cd8f92ec1d9eb4f55dcad194e [0,1,0,0,0,0|2,0,1]=4 1470 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,1,0,0,0,0|2,0,0]=3 1471 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,1,0,0,0,0|1,0,0]=2 1472 B8R0.28 CC(C)OCCS(=O)C 9f44a2155f1463de437cc5b5f1a51c9f [0,1,0,0,0,0|3,0,0]=4 1473 B8R0.28 CC(C)OCC[N+](=O)[O-] 2fa45c3a4a072eea01604f0243815c5a [0,1,0,0,0,0|2,0,1]=4 1474 B8R0.28 CC(C)OCNC(=O)N 225bdba254c9e931f9fcb99b6f0644ed [0,1,0,0,0,0|3,0,0]=4 1475 B8R0.28 CC(C)OCSC(=O)N 456704dc0d4b427a59e70e240701dde0 [0,1,0,0,0,0|3,0,0]=4 1476 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,1,0,0,0,0|2,0,0]=3 1477 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,1,0,0,0,0|1,0,0]=2 1478 B8R0.28 CC(F)COC[N+](=O)[O-] f5fc45cd15b328585b596435993a0746 [0,1,0,0,0,0|2,0,1]=4 1479 B8R0.28 CC(O)CCNC(C)C c17e7a58f1e2a686463daf8ba7d1a0e5 [0,1,0,0,0,0|2,0,1]=4 1480 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,1,0,0,0,0|2,0,0]=3 1481 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,1,0,0,0,0|1,0,0]=2 1482 B8R0.28 CC(O)CNCC(C)O 4a2a1f1df64d323049b6cc3bed5f7eec [0,1,0,0,0,0|2,0,1]=4 1483 B8R0.28 CC(O)CNC[C@@H](C)O a13654c0e0b2e8824a94b55cc885b895 [0,1,0,0,0,0|2,0,1]=4 1484 B8R0.28 CC(O)CNC[C@H](C)O bb487d5d5b847c9d75f817219d3b7658 [0,1,0,0,0,0|2,0,1]=4 1485 B8R0.28 CC(O)CNC[N+](=O)[O-] bc0706f83a86096652412116c255ac51 [0,1,0,0,0,0|2,0,1]=4 1486 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,1,0,0,0,0|2,0,0]=3 1487 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,1,0,0,0,0|1,0,0]=2 1488 B8R0.28 CC(S)COC[N+](=O)[O-] 307ef74ffaea9bbb1ebf3534b3fd775c [0,1,0,0,0,0|2,0,1]=4 1489 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,1,0,0,0,0|3,0,0]=4 1490 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,1,0,0,0,0|2,0,0]=3 1491 B8R0.28 CN(C)COCC(=O)N 419913c96364efa4322cd65a17692db0 [0,1,0,0,0,0|3,0,0]=4 1492 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,1,0,0,0,0|2,0,0]=3 1493 B8R0.28 CN(C)COCS(=O)O 31b80e781d9b95ad4f23dc71b05264ed [0,1,0,0,0,0|3,0,0]=4 1494 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,1,0,0,0,0|2,0,0]=3 1495 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,1,0,0,0,0|1,0,0]=2 1496 B8R0.28 C[C@@H](F)COC[N+](=O)[O-] d0bd8bb4c454a40c55d51be62ee35e19 [0,1,0,0,0,0|2,0,1]=4 1497 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,1,0,0,0,0|2,0,0]=3 1498 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,1,0,0,0,0|1,0,0]=2 1499 B8R0.28 C[C@@H](O)CNC[C@@H](C)O 16696c158ac89d0a205b741acfd241ab [0,1,0,0,0,0|2,0,1]=4 1500 B8R0.28 C[C@@H](O)CNC[N+](=O)[O-] 01add8d4900a3d2c9dbb3cfa1d1d3bed [0,1,0,0,0,0|2,0,1]=4 1501 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,1,0,0,0,0|2,0,0]=3 1502 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,1,0,0,0,0|1,0,0]=2 1503 B8R0.28 C[C@H](F)COC[N+](=O)[O-] aa8cec53c4a801cd0614ee2440d02cbd [0,1,0,0,0,0|2,0,1]=4 1504 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,1,0,0,0,0|2,0,0]=3 1505 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,1,0,0,0,0|1,0,0]=2 1506 B8R0.28 C[C@H](O)CNC[C@@H](C)O f1681b429c26c45959758bad686c97ff [0,1,0,0,0,0|2,0,1]=4 1507 B8R0.28 C[C@H](O)CNC[C@H](C)O bcf7a2c6e4dddb3906509a8f040e6475 [0,1,0,0,0,0|2,0,1]=4 1508 B8R0.28 C[C@H](O)CNC[N+](=O)[O-] 071b6815174fac0844082b8d40c109bc [0,1,0,0,0,0|2,0,1]=4 1509 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [0,1,0,0,0,0|2,0,1]=4 1510 B8R0.28 NC(=O)CNCC(F)F 602feedc68194f5f28e59a8b32c64405 [0,1,0,0,0,0|3,0,0]=4 1511 B8R0.28 NC(=O)COCC(=O)O ca1a8d30b253d832771128a06ed499a3 [0,1,0,0,0,0|2,0,1]=4 1512 B8R0.28 NC(=O)COCC(F)F 1a68919610823a07c8896dac818d8351 [0,1,0,0,0,0|3,0,0]=4 1513 B8R0.28 NC(=S)COCC(=O)O 29d31950ca99b5fd12dd696af3cc0c91 [0,1,0,0,0,0|2,0,1]=4 1514 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [0,1,0,0,0,0|2,0,1]=4 1515 B8R0.28 O=C(O)CNCC(F)F 040842ed6827b9851af762c119c56595 [0,1,0,0,0,0|2,0,0]=3 1516 B8R0.28 O=C(O)CNC[N+](=O)[O-] 806b61457d3ba2a02c5db02823c3bf09 [0,1,0,0,0,0|3,0,0]=4 1517 B8R0.28 O=C(O)COCC(=O)O c0e1c849c7114f9f4b4ce529ad852b29 [0,1,0,0,0,0|2,0,1]=4 1518 B8R0.28 O=C(O)COCC(F)F 9e8fe105feb56c3ab08ea5459b7002d2 [0,1,0,0,0,0|2,0,0]=3 1519 B8R0.28 O=C(O)COCS(=O)O 5f5dfe808e062671c6c68f22db3ca309 [0,1,0,0,0,0|3,0,0]=4 1520 B8R0.28 O=C(O)COC[N+](=O)[O-] 6de314e5255acc45a8e7039e67021f9e [0,1,0,0,0,0|3,0,0]=4 1521 B8R0.28 O=S(O)COCC(F)F b3ce82b3760f3d678a410c01efdbc28c [0,1,0,0,0,0|3,0,0]=4 1522 B8R1.1 CCN1CCC(C1)O 1fbe07547593a6faa177084d503fc6f1 [0,0,0,1,0,0|2,0,1]=4 1523 B8R1.1 CCN1CC[C@@H](C1)O 70cbbe96f459a233588b5761b6688faa [0,0,0,1,0,0|2,0,1]=4 1524 B8R1.1 CCN1CC[C@H](C1)O 8caeefff584b981372b55b1e6e9f82dc [0,0,0,1,0,0|2,0,1]=4 1525 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,0,0,1,0,0|3,0,0]=4 1526 B8R1.6 CCCN1CC(C1)O 6960d1c76fc6bee2104d2cc7da6d53cb [0,0,0,1,0,0|2,0,1]=4 1527 B8R1.6 CCNC1CC(C1)O ff109cf0f4e20ca9c93dd5c4ca790b90 [0,0,0,1,0,0|2,0,1]=4 1528 B8R1.6 CCN[C@H]1C[C@@H](C1)O ff7552bab4d1f2f4dc4f733d9dc54eaf [0,0,0,1,0,0|2,0,1]=4 1529 B8R1.6 CCN[C@H]1C[C@H](C1)O 951190e7ba8081e7d4167c17721dec43 [0,0,0,1,0,0|2,0,1]=4 1530 B8R1.6 CCOC1CC(=O)C1 7245371a51b98874574252c09e474e49 [0,0,0,1,0,0|2,0,0]=3 1531 B8R1.6 O=C1CC(C1)OCF c33823c82929be54a27457e340273af2 [0,0,0,1,0,0|3,0,0]=4 1532 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [0,0,0,1,0,0|3,0,0]=4 1533 B8R1.9 C=C1CC1COCC e60a01e41c746d08a053302fe8867db6 [0,0,0,1,0,0|3,0,0]=4 1534 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,0,0,1,0,0|2,0,0]=3 1535 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F bc7a6eb1a99ce556c18fcaf7f0c75c37 [0,0,0,1,0,0|3,0,0]=4 1536 B8R1.20 CC(=O)N[C@H]1C[C@@H]1F 576115c90eccc628d4e941f7a7852f6c [0,0,0,1,0,0|3,0,0]=4 1537 B8R1.20 CC(=O)N[C@H]1C[C@H]1F 8cb83b6d110bbd78098fefdd41f3f45a [0,0,0,1,0,0|3,0,0]=4 1538 B8R1.34 C=C(Br)CN1CCC1 7d3a102b87bb1acf8da9022a99ebcbd5 [0,0,0,1,0,0|3,0,0]=4 1539 B8R1.34 C=C(C)CN1CCC1 19d6aea172318893485802428f6f2b52 [0,0,0,1,0,0|3,0,0]=4 1540 B8R1.34 C=C(Cl)CN1CCC1 6c2deac25cc4e1ee5b95bcb9cd622604 [0,0,0,1,0,0|3,0,0]=4 1541 B8R1.34 C=C(F)CN1CCC1 fe164e55c21cafabdc640e829c7e1a4f [0,0,0,1,0,0|3,0,0]=4 1542 B8R1.34 CC(=O)NC1CCC1 46894fd3aa8761205eba8795d61a04cf [0,0,0,1,0,0|2,0,0]=3 1543 B8R1.34 CC(=O)NC1COC1 434b9f924b049f8d9fb83819938927c2 [0,0,0,1,0,0|3,0,0]=4 1544 B8R1.34 CC(O)CN1CCC1 c968b76b6db8bde6dbcca9aa6b0299d6 [0,0,0,1,0,0|2,0,1]=4 1545 B8R1.34 C[C@@H](O)CN1CCC1 b5f2cf9878abeb4a8a834874c79174e7 [0,0,0,1,0,0|2,0,1]=4 1546 B8R1.34 C[C@H](O)CN1CCC1 199f11a3ece69c3aaaa8b0f1f376d79b [0,0,0,1,0,0|2,0,1]=4 1547 B8R1.34 NC(=O)CN1CCC1 6c3508be38699fc0f43e1dd694ce2a15 [0,0,0,1,0,0|2,0,0]=3 1548 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,0,0,1,0,0|1,0,0]=2 1549 B8R1.34 O=[N+]([O-])CN1CCC1 18e2c74ccfcdc6627c3c54edac6e5c7b [0,0,0,1,0,0|2,0,1]=4 1550 B8R1.35 C=C(Br)CNC1CC1 2f516375f9ddc5ad56210b340257c5d3 [0,0,0,1,0,0|3,0,0]=4 1551 B8R1.35 C=C(Br)COC1CC1 bd8b8133c8c91a86915d922aaf12dcff [0,0,0,1,0,0|3,0,0]=4 1552 B8R1.35 C=C(C)CNC1CC1 d7b88e809441d579b0399cecfd2ac93a [0,0,0,1,0,0|3,0,0]=4 1553 B8R1.35 C=C(C)COC1CC1 63ffc7725ab16da355947b48ca968597 [0,0,0,1,0,0|3,0,0]=4 1554 B8R1.35 C=C(Cl)CNC1CC1 860c5e4f08e3ea3eee595b4e8f44ee50 [0,0,0,1,0,0|3,0,0]=4 1555 B8R1.35 C=C(Cl)COC1CC1 1701d80572247b9c5e9687be7dc89d21 [0,0,0,1,0,0|3,0,0]=4 1556 B8R1.35 C=C(F)CNC1CC1 211b2ea4bdf3016e6154350d05034cd4 [0,0,0,1,0,0|3,0,0]=4 1557 B8R1.35 C=C(F)COC1CC1 f8b7a28a6dcb07d7989406dc0bbbb443 [0,0,0,1,0,0|3,0,0]=4 1558 B8R1.35 C=C(I)COC1CC1 317defbe769eafa0fb3cbdc7fc999360 [0,0,0,1,0,0|3,0,0]=4 1559 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,0,0,1,0,0|2,0,0]=3 1560 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,0,0,1,0,0|2,0,0]=3 1561 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,0,0,1,0,0|2,0,0]=3 1562 B8R1.35 CC(O)CNC1CC1 b9f250bd72bb55f49d088ac67e0cb3d1 [0,0,0,1,0,0|2,0,1]=4 1563 B8R1.35 C[C@@H](O)CNC1CC1 d465ff1ec8c8ef18904ed72be45bd6db [0,0,0,1,0,0|2,0,1]=4 1564 B8R1.35 C[C@H](O)CNC1CC1 689794ac138a6a9d1241373cb177f81d [0,0,0,1,0,0|2,0,1]=4 1565 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,0,0,1,0,0|2,0,0]=3 1566 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,0,0,1,0,0|2,0,0]=3 1567 B8R1.35 NC(=S)COC1CC1 6be25ed37cf29dfd01fc062a3dfbdc9f [0,0,0,1,0,0|2,1,0]=4 1568 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,0,0,1,0,0|1,0,0]=2 1569 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,0,0,1,0,0|1,0,0]=2 1570 B8R1.35 O=S(O)COC1CC1 85bbc60ec3a8ee46735b8745b51b860d [0,0,0,1,0,0|2,0,0]=3 1571 B8R1.35 O=[N+]([O-])CNC1CC1 e1fb95192d4e5a6402b5be124e4d11d5 [0,0,0,1,0,0|2,0,1]=4 1572 B8R1.35 O=[N+]([O-])COC1CC1 1c250e52285322e206d852dff75223c7 [0,0,0,1,0,0|2,0,1]=4 1573 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|1,0,0]=3 1574 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,1]=4 1575 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [2,0,0,0,0,0|2,0,0]=4 1576 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|1,0,0]=3 1577 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|1,0,1]=4 1578 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [2,0,0,0,0,0|2,0,0]=4 1579 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [2,0,0,0,0,0|2,0,0]=4 1580 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [2,0,0,0,0,0|2,0,0]=4 1581 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [2,0,0,0,0,0|2,0,0]=4 1582 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|1,0,0]=3 1583 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [2,0,0,0,0,0|1,1,0]=4 1584 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [2,0,0,0,0,0|2,0,0]=4 1585 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [2,0,0,0,0,0|1,1,0]=4 1586 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [2,0,0,0,0,0|2,0,0]=4 1587 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [2,0,0,0,0,0|2,0,0]=4 1588 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [2,0,0,0,0,0|2,0,0]=4 1589 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [2,0,0,0,0,0|2,0,0]=4 1590 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [2,0,0,0,0,0|2,0,0]=4 1591 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [2,0,0,0,0,0|2,0,0]=4 1592 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [2,0,0,0,0,0|2,0,0]=4 1593 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [2,0,0,0,0,0|2,0,0]=4 1594 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [2,0,0,0,0,0|2,0,0]=4 1595 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [2,0,0,0,0,0|2,0,0]=4 1596 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [2,0,0,0,0,0|2,0,0]=4 1597 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [1,1,0,0,0,0|2,0,0]=4 1598 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [1,1,0,0,0,0|2,0,0]=4 1599 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [1,1,0,0,0,0|1,0,0]=3 1600 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [1,1,0,0,0,0|2,0,0]=4 1601 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [1,1,0,0,0,0|2,0,0]=4 1602 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [1,1,0,0,0,0|2,0,0]=4 1603 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [1,1,0,0,0,0|2,0,0]=4 1604 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [1,1,0,0,0,0|2,0,0]=4 1605 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [1,1,0,0,0,0|2,0,0]=4 1606 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [1,1,0,0,0,0|2,0,0]=4 1607 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [1,1,0,0,0,0|2,0,0]=4 1608 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [1,1,0,0,0,0|2,0,0]=4 1609 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [1,1,0,0,0,0|1,0,1]=4 1610 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [1,1,0,0,0,0|2,0,0]=4 1611 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [1,1,0,0,0,0|2,0,0]=4 1612 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [1,1,0,0,0,0|1,0,0]=3 1613 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [1,1,0,0,0,0|1,1,0]=4 1614 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [1,1,0,0,0,0|2,0,0]=4 1615 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [1,1,0,0,0,0|1,0,0]=3 1616 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [1,1,0,0,0,0|1,0,0]=3 1617 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [1,1,0,0,0,0|2,0,0]=4 1618 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [1,1,0,0,0,0|2,0,0]=4 1619 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [1,1,0,0,0,0|1,0,0]=3 1620 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [1,1,0,0,0,0|2,0,0]=4 1621 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [1,1,0,0,0,0|2,0,0]=4 1622 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [1,1,0,0,0,0|2,0,0]=4 1623 B7R0.3 O=C(CNCF)NO 56dda9ea00f77e2491394a26c36ddff8 [1,1,0,0,0,0|2,0,0]=4 1624 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [1,1,0,0,0,0|2,0,0]=4 1625 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [1,1,0,0,0,0|2,0,0]=4 1626 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [1,1,0,0,0,0|2,0,0]=4 1627 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [1,1,0,0,0,0|2,0,0]=4 1628 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [1,1,0,0,0,0|2,0,0]=4 1629 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [1,1,0,0,0,0|2,0,0]=4 1630 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [1,1,0,0,0,0|2,0,0]=4 1631 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [1,1,0,0,0,0|2,0,0]=4 1632 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [1,1,0,0,0,0|2,0,0]=4 1633 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [1,1,0,0,0,0|2,0,0]=4 1634 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [1,1,0,0,0,0|2,0,0]=4 1635 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [1,1,0,0,0,0|1,0,0]=3 1636 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [1,1,0,0,0,0|1,0,0]=3 1637 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [1,1,0,0,0,0|2,0,0]=4 1638 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [1,1,0,0,0,0|1,0,0]=3 1639 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [1,1,0,0,0,0|2,0,0]=4 1640 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [1,1,0,0,0,0|1,0,0]=3 1641 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [1,1,0,0,0,0|2,0,0]=4 1642 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [1,1,0,0,0,0|2,0,0]=4 1643 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [1,1,0,0,0,0|1,0,0]=3 1644 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [1,1,0,0,0,0|2,0,0]=4 1645 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [1,1,0,0,0,0|1,0,0]=3 1646 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [1,1,0,0,0,0|2,0,0]=4 1647 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [1,1,0,0,0,0|1,0,0]=3 1648 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [1,1,0,0,0,0|2,0,0]=4 1649 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [1,1,0,0,0,0|2,0,0]=4 1650 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [1,1,0,0,0,0|2,0,0]=4 1651 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [1,1,0,0,0,0|2,0,0]=4 1652 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [1,1,0,0,0,0|2,0,0]=4 1653 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [1,1,0,0,0,0|2,0,0]=4 1654 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [1,1,0,0,0,0|2,0,0]=4 1655 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [1,1,0,0,0,0|2,0,0]=4 1656 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [1,1,0,0,0,0|2,0,0]=4 1657 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [1,1,0,0,0,0|2,0,0]=4 1658 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [1,1,0,0,0,0|2,0,0]=4 1659 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [1,1,0,0,0,0|2,0,0]=4 1660 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [1,1,0,0,0,0|2,0,0]=4 1661 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [1,1,0,0,0,0|2,0,0]=4 1662 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [1,1,0,0,0,0|2,0,0]=4 1663 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [1,1,0,0,0,0|1,0,0]=3 1664 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [1,1,0,0,0,0|2,0,0]=4 1665 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [1,1,0,0,0,0|1,0,0]=3 1666 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [1,1,0,0,0,0|2,0,0]=4 1667 B7R0.8 CCNCS(=O)(=O)O bbcfc5d6d557b34dea0908a35a8ee7e3 [1,1,0,0,0,0|2,0,0]=4 1668 B7R0.1 C#CCCCNC=O 5eda6030f597033b63ed4419962aef56 [1,1,0,0,0,0|0,0,2]=4 1669 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [1,1,0,0,0,0|1,0,1]=4 1670 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [1,1,0,0,0,0|1,0,1]=4 1671 B7R0.1 C#CCCNCC=O 16b88da3a2d7872fd426d7c300d70129 [1,1,0,0,0,0|0,0,2]=4 1672 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [1,1,0,0,0,0|1,0,1]=4 1673 B7R0.1 C#CCCOCC=O a3696b61f345ee7931522dafcfd6d6eb [1,1,0,0,0,0|0,0,2]=4 1674 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.1 C#CCNCCC=O aa50e43a719e790522524abe3f128d7c [1,1,0,0,0,0|0,0,2]=4 1676 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [1,1,0,0,0,0|1,0,1]=4 1677 B7R0.1 C#CCOCCC=O 7d8bf0924e81c8ef7599df2290cf84d5 [1,1,0,0,0,0|0,0,2]=4 1678 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [1,1,0,0,0,0|1,0,1]=4 1680 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [1,1,0,0,0,0|1,0,1]=4 1681 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [1,1,0,0,0,0|0,0,2]=4 1682 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [1,1,0,0,0,0|1,0,1]=4 1683 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [1,1,0,0,0,0|1,0,1]=4 1684 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [1,1,0,0,0,0|0,0,2]=4 1685 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [1,1,0,0,0,0|1,0,1]=4 1686 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [1,1,0,0,0,0|2,0,0]=4 1687 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [1,1,0,0,0,0|0,0,2]=4 1688 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [1,1,0,0,0,0|1,0,0]=3 1689 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [1,1,0,0,0,0|2,0,0]=4 1690 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [1,1,0,0,0,0|2,0,0]=4 1691 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [1,1,0,0,0,0|1,0,0]=3 1692 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [1,1,0,0,0,0|2,0,0]=4 1693 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [1,1,0,0,0,0|0,0,2]=4 1694 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [1,1,0,0,0,0|2,0,0]=4 1695 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [1,1,0,0,0,0|1,0,0]=3 1696 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [1,1,0,0,0,0|2,0,0]=4 1697 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [1,1,0,0,0,0|2,0,0]=4 1698 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [1,1,0,0,0,0|2,0,0]=4 1699 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [1,1,0,0,0,0|2,0,0]=4 1700 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [1,1,0,0,0,0|2,0,0]=4 1701 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [1,1,0,0,0,0|2,0,0]=4 1702 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [1,1,0,0,0,0|0,0,2]=4 1703 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [1,1,0,0,0,0|1,0,0]=3 1704 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [1,1,0,0,0,0|2,0,0]=4 1705 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [1,1,0,0,0,0|2,0,0]=4 1706 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [1,1,0,0,0,0|2,0,0]=4 1707 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [1,1,0,0,0,0|2,0,0]=4 1708 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [1,1,0,0,0,0|1,0,0]=3 1709 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [1,1,0,0,0,0|2,0,0]=4 1710 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [1,1,0,0,0,0|2,0,0]=4 1711 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [1,1,0,0,0,0|2,0,0]=4 1712 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [1,1,0,0,0,0|2,0,0]=4 1713 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [1,1,0,0,0,0|0,0,2]=4 1714 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [1,1,0,0,0,0|1,0,0]=3 1715 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [1,1,0,0,0,0|2,0,0]=4 1716 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [1,1,0,0,0,0|2,0,0]=4 1717 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [1,1,0,0,0,0|2,0,0]=4 1718 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [1,1,0,0,0,0|2,0,0]=4 1719 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [1,1,0,0,0,0|2,0,0]=4 1720 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [1,1,0,0,0,0|2,0,0]=4 1721 B7R0.1 CC#CCNCC=O 3b9af0779acfe3ab0ba04aa531b5bc50 [1,1,0,0,0,0|0,0,2]=4 1722 B7R0.1 CC#CCOCC=O 6443b8424b1ac8fb6cb8727e1a03de95 [1,1,0,0,0,0|0,0,2]=4 1723 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [1,1,0,0,0,0|0,0,2]=4 1724 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [1,1,0,0,0,0|1,0,1]=4 1725 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [1,1,0,0,0,0|0,0,2]=4 1726 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [1,1,0,0,0,0|1,0,1]=4 1727 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [1,1,0,0,0,0|1,0,1]=4 1728 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [1,1,0,0,0,0|0,0,0]=2 1729 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [1,1,0,0,0,0|1,0,1]=4 1730 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [1,1,0,0,0,0|1,0,1]=4 1731 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [1,1,0,0,0,0|0,0,1]=3 1732 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [1,1,0,0,0,0|1,0,1]=4 1733 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [1,1,0,0,0,0|1,0,1]=4 1734 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [1,1,0,0,0,0|1,0,1]=4 1735 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [1,1,0,0,0,0|0,0,0]=2 1736 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [1,1,0,0,0,0|1,0,1]=4 1737 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [1,1,0,0,0,0|1,0,1]=4 1738 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [1,1,0,0,0,0|1,0,1]=4 1739 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [1,1,0,0,0,0|1,0,1]=4 1740 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [1,1,0,0,0,0|0,0,1]=3 1741 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [1,1,0,0,0,0|0,1,1]=4 1742 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [1,1,0,0,0,0|1,0,1]=4 1743 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [1,1,0,0,0,0|2,0,0]=4 1744 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [1,1,0,0,0,0|1,0,1]=4 1745 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [1,1,0,0,0,0|0,0,0]=2 1746 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [1,1,0,0,0,0|1,0,1]=4 1747 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [1,1,0,0,0,0|1,0,1]=4 1748 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [1,1,0,0,0,0|0,1,1]=4 1749 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [1,1,0,0,0,0|1,0,1]=4 1750 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [1,1,0,0,0,0|2,0,0]=4 1751 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [1,1,0,0,0,0|1,0,1]=4 1752 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [1,1,0,0,0,0|1,0,1]=4 1753 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [1,1,0,0,0,0|0,0,1]=3 1754 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [1,1,0,0,0,0|1,0,1]=4 1755 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [1,1,0,0,0,0|0,0,0]=2 1756 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [1,1,0,0,0,0|1,0,1]=4 1757 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [1,1,0,0,0,0|1,0,1]=4 1758 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [1,1,0,0,0,0|0,0,1]=3 1759 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [1,1,0,0,0,0|0,1,1]=4 1760 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [1,1,0,0,0,0|1,0,1]=4 1761 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [1,1,0,0,0,0|1,0,1]=4 1762 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [1,1,0,0,0,0|2,0,0]=4 1763 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [1,1,0,0,0,0|1,0,1]=4 1764 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [1,1,0,0,0,0|1,0,1]=4 1765 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [1,1,0,0,0,0|1,0,1]=4 1766 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [1,1,0,0,0,0|1,0,1]=4 1767 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [1,1,0,0,0,0|0,0,0]=2 1768 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [1,1,0,0,0,0|1,0,1]=4 1769 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [1,1,0,0,0,0|0,1,1]=4 1770 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [1,1,0,0,0,0|1,0,1]=4 1771 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [1,1,0,0,0,0|2,0,0]=4 1772 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [1,1,0,0,0,0|1,0,1]=4 1773 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [1,1,0,0,0,0|1,0,1]=4 1774 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [1,1,0,0,0,0|0,0,1]=3 1775 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [1,1,0,0,0,0|0,1,1]=4 1776 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [1,1,0,0,0,0|1,0,1]=4 1777 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [1,1,0,0,0,0|2,0,0]=4 1778 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [1,1,0,0,0,0|0,0,2]=4 1779 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [1,1,0,0,0,0|1,0,1]=4 1780 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [1,1,0,0,0,0|0,0,0]=2 1781 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [1,1,0,0,0,0|1,0,1]=4 1782 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [1,1,0,0,0,0|0,1,1]=4 1783 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [1,1,0,0,0,0|1,0,1]=4 1784 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [1,1,0,0,0,0|2,0,0]=4 1785 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [1,1,0,0,0,0|1,0,0]=3 1786 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [1,1,0,0,0,0|1,0,1]=4 1787 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [1,1,0,0,0,0|1,0,0]=3 1788 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [1,1,0,0,0,0|1,0,1]=4 1789 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [1,1,0,0,0,0|1,0,0]=3 1790 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [1,1,0,0,0,0|1,0,1]=4 1791 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [1,1,0,0,0,0|1,0,0]=3 1792 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [1,1,0,0,0,0|1,0,1]=4 1793 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [1,1,0,0,0,0|1,0,0]=3 1794 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [1,1,0,0,0,0|1,0,1]=4 1795 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [1,1,0,0,0,0|1,0,0]=3 1796 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [1,1,0,0,0,0|1,0,1]=4 1797 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [1,1,0,0,0,0|1,0,0]=3 1798 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [1,1,0,0,0,0|1,0,0]=3 1799 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [1,1,0,0,0,0|1,0,1]=4 1800 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [1,1,0,0,0,0|1,0,0]=3 1801 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [1,1,0,0,0,0|1,0,1]=4 1802 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [1,1,0,0,0,0|1,0,0]=3 1803 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [1,1,0,0,0,0|1,0,1]=4 1804 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [1,1,0,0,0,0|1,0,0]=3 1805 B7R0.1 N#CCCCNC=O 2ee9339659cd26f3551604e3c373e82a [1,1,0,0,0,0|1,0,1]=4 1806 B7R0.1 N#CCCNCC=O ace8d58a49015f6f4f2a2096c27596fb [1,1,0,0,0,0|1,0,1]=4 1807 B7R0.1 N#CCCOCC=O f5635aa9ec061d3761bd48ab3dabbef3 [1,1,0,0,0,0|1,0,1]=4 1808 B7R0.1 N#CCNCCC=O 9377fb179983a3f31de3cd31892e8272 [1,1,0,0,0,0|1,0,1]=4 1809 B7R0.1 N#CCOCCC=O d5d91b156eadefd49106bc56a058e496 [1,1,0,0,0,0|1,0,1]=4 1810 B7R0.1 N#CNCCCC=O de6c2527b5c583058557280e038afe12 [1,1,0,0,0,0|1,0,1]=4 1811 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [1,1,0,0,0,0|2,0,0]=4 1812 B7R0.1 O/C=C\CNCCBr 78bf6909c3dee8af6d6cdaed4572acf8 [1,1,0,0,0,0|1,0,1]=4 1813 B7R0.1 O/C=C\CNCCF 4dd7dedef3f23a2dff56fd2bf610c971 [1,1,0,0,0,0|1,0,1]=4 1814 B7R0.1 O/C=C\CNCCI 45e0f365c7fdd440595555325ab875e7 [1,1,0,0,0,0|1,0,1]=4 1815 B7R0.1 O/C=C\CNCCO 0f4453c48d586f05dd8b7bb8855f7abb [1,1,0,0,0,0|1,0,1]=4 1816 B7R0.1 O/C=C\CNCCS 85de73db1b0a9675523938141a7b3b56 [1,1,0,0,0,0|1,0,1]=4 1817 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [1,1,0,0,0,0|1,0,0]=3 1818 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [1,1,0,0,0,0|1,0,0]=3 1819 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [1,1,0,0,0,0|1,0,0]=3 1820 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [1,1,0,0,0,0|1,0,0]=3 1821 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [1,1,0,0,0,0|1,0,0]=3 1822 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [1,1,0,0,0,0|1,0,0]=3 1823 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [1,1,0,0,0,0|1,0,1]=4 1824 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [1,1,0,0,0,0|1,0,0]=3 1825 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [1,1,0,0,0,0|1,0,0]=3 1826 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [1,1,0,0,0,0|1,0,0]=3 1827 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [1,1,0,0,0,0|1,0,0]=3 1828 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [1,1,0,0,0,0|1,0,0]=3 1829 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [1,1,0,0,0,0|1,0,0]=3 1830 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [1,1,0,0,0,0|1,0,0]=3 1831 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [1,1,0,0,0,0|1,0,0]=3 1832 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [1,1,0,0,0,0|1,0,0]=3 1833 B7R0.1 O=CNCCOCF 8eb92d4268cefac9fa43b7283baf8468 [1,1,0,0,0,0|2,0,0]=4 1834 B7R0.1 O=COCCOCF 26ea822921d5df0874b513814a734854 [1,1,0,0,0,0|2,0,0]=4 1835 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [1,1,0,0,0,0|1,0,1]=4 1836 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [1,1,0,0,0,0|1,0,1]=4 1837 B7R0.1 OCCCNCCBr 298f76d93b4a56118785c24aabe36d03 [1,1,0,0,0,0|1,0,1]=4 1838 B7R0.1 OCCCNCCF 160ffea2dd40155e84c24124da4d3bb5 [1,1,0,0,0,0|1,0,1]=4 1839 B7R0.1 OCCCNCCI b0caa3b33126ba633de191e5b27be25d [1,1,0,0,0,0|1,0,1]=4 1840 B7R0.1 OCCCNCCO b7e543e706324c7668084e51d2ac83f2 [1,1,0,0,0,0|1,0,1]=4 1841 B7R0.1 OCCCNCCS a78d7d11eead19ac41bdcdfaa23aa4c3 [1,1,0,0,0,0|1,0,1]=4 1842 B7R0.1 OCCNCCCCl 10a4c88cfa54a10eeb2391e86b7e00e5 [1,1,0,0,0,0|1,0,1]=4 1843 B7R0.1 OCCNCCCF 91fb92031bfde2e9db842bc4e4a8eee4 [1,1,0,0,0,0|1,0,1]=4 1844 B7R0.1 OCCNCCCS c5d3e46e0ec074044c852191bd32ce81 [1,1,0,0,0,0|1,0,1]=4 1845 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [1,1,0,0,0,0|1,0,1]=4 1846 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [1,1,0,0,0,0|1,0,1]=4 1847 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [1,1,0,0,0,0|2,0,0]=4 1848 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [1,1,0,0,0,0|2,0,0]=4 1849 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [1,1,0,0,0,0|2,0,0]=4 1850 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [1,1,0,0,0,0|2,0,0]=4 1851 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [1,1,0,0,0,0|2,0,0]=4 1852 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [1,1,0,0,0,0|1,0,0]=3 1853 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [1,1,0,0,0,0|1,0,1]=4 1854 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [1,1,0,0,0,0|1,0,0]=3 1855 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [1,1,0,0,0,0|1,0,1]=4 1856 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [1,1,0,0,0,0|1,0,0]=3 1857 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [1,1,0,0,0,0|1,0,1]=4 1858 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [1,1,0,0,0,0|1,0,1]=4 1859 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [1,1,0,0,0,0|1,0,1]=4 1860 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [1,1,0,0,0,0|1,0,1]=4 1861 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [1,1,0,0,0,0|2,0,0]=4 1862 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [1,1,0,0,0,0|2,0,0]=4 1863 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [1,1,0,0,0,0|2,0,0]=4 1864 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [1,1,0,0,0,0|2,0,0]=4 1865 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [1,1,0,0,0,0|2,0,0]=4 1866 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [1,1,0,0,0,0|2,0,0]=4 1867 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [1,1,0,0,0,0|2,0,0]=4 1868 B9R0.4 C#CCCN(C)CC(=O)O c342fc1eae056e6a4f78801859bc9f02 [0,2,0,0,0,0|0,0,2]=4 1869 B9R0.4 C#CCNC(C)CC(=O)O e88c4b46a26cab7526b69bf619ffd97e [0,2,0,0,0,0|0,0,2]=4 1870 B9R0.4 C#CCN[C@@H](C)CC(=O)O e4cbba3f0406b208247d46092df228cc [0,2,0,0,0,0|0,0,2]=4 1871 B9R0.4 C#CCN[C@H](C)CC(=O)O f96ee44735fe8a0a7543e042b18f148e [0,2,0,0,0,0|0,0,2]=4 1872 B9R0.4 C#CCOC(C)CC(=O)O d03427f80a956cc816f509672bb000dc [0,2,0,0,0,0|0,0,2]=4 1873 B9R0.4 C#CCO[C@@H](C)CC(=O)O 44b33f5be83a64ff06d3732c99a80179 [0,2,0,0,0,0|0,0,2]=4 1874 B9R0.4 C#CCO[C@H](C)CC(=O)O 469413630488a2a850e98ad978ab272d [0,2,0,0,0,0|0,0,2]=4 1875 B9R0.4 C/C=C/CN(C)CC(=O)O 23ac9de1d2dde35b4e407697595e4c31 [0,2,0,0,0,0|0,0,2]=4 1876 B9R0.4 C/C=C\CN(C)CC(=O)O f33e8e9cccae63a33fb2ea55fc4083d8 [0,2,0,0,0,0|0,0,2]=4 1877 B9R0.4 C=C(Br)CN(C)CCCC d387c6d70ee05f7f2e51275df63961c7 [0,2,0,0,0,0|2,0,0]=4 1878 B9R0.4 C=C(C)CN(C)CCCC 9041dbfba46283bf0f85afa52d40257f [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.4 C=C(Cl)CN(C)CCCC 13750ccd1ae220cfefe37f307ba7ce5c [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.4 C=CCCN(C)CC(=O)O c45dddea24cad7bcd2fe878b0aa2a882 [0,2,0,0,0,0|0,0,2]=4 1881 B9R0.4 C=CCNC(C)CC(=O)O 6ae10b64077133545f3d91156e398a8c [0,2,0,0,0,0|0,0,2]=4 1882 B9R0.4 C=CCN[C@@H](C)CC(=O)O e24fbde4dfaa347b67a58faa90e875fd [0,2,0,0,0,0|0,0,2]=4 1883 B9R0.4 C=CCN[C@H](C)CC(=O)O 68d1d33710689e20c468e0a1bf3fde2f [0,2,0,0,0,0|0,0,2]=4 1884 B9R0.4 C=CCOC(C)CC(=O)O 6aa6c0b2ae081456bfb4b15bc98ff0b4 [0,2,0,0,0,0|0,0,2]=4 1885 B9R0.4 C=CCO[C@@H](C)CC(=O)O 2f3de0688fccb90592132bae9389e4e8 [0,2,0,0,0,0|0,0,2]=4 1886 B9R0.4 C=CCO[C@H](C)CC(=O)O 82558ab3b4b44d284dc8a385450a58eb [0,2,0,0,0,0|0,0,2]=4 1887 B9R0.4 CC(=O)NC(C)CCCO a409476001ef0aff88161eb86bbe5db4 [0,2,0,0,0,0|2,0,0]=4 1888 B9R0.4 CC(=O)N[C@H](C)CCCO 9a046063324b070dedfa3d3739745edc [0,2,0,0,0,0|2,0,0]=4 1889 B9R0.4 CC(CC(=O)N)OCCF 33c76992ff5934781e3515f9fc43f0ec [0,2,0,0,0,0|2,0,0]=4 1890 B9R0.4 CC(CC(=O)N)OCCS b93b22eba38e053f131c509a795ffec2 [0,2,0,0,0,0|2,0,0]=4 1891 B9R0.4 CC(CC(=O)O)NCC#N b141632e27612f0c1515a54a70fedc87 [0,2,0,0,0,0|1,0,1]=4 1892 B9R0.4 CC(CC(=O)O)NCC=O 0b9db54dda8ed6cd9b17284ce8476910 [0,2,0,0,0,0|1,0,1]=4 1893 B9R0.4 CC(CC(=O)O)NCCBr e7e4b6e2fc1ea75d46b4b42316397fca [0,2,0,0,0,0|1,0,0]=3 1894 B9R0.4 CC(CC(=O)O)NCCF d1685d2be3fcc9d24c11d15d0d1d1325 [0,2,0,0,0,0|1,0,0]=3 1895 B9R0.4 CC(CC(=O)O)NCCI 94de66baab7b311efb40a9409058838e [0,2,0,0,0,0|1,0,0]=3 1896 B9R0.4 CC(CC(=O)O)NCCO 363ffb708fc7cb9d3ee89320c343223e [0,2,0,0,0,0|1,0,0]=3 1897 B9R0.4 CC(CC(=O)O)NCCS cdbc52c158398597a14b9e2a91a129d1 [0,2,0,0,0,0|1,0,0]=3 1898 B9R0.4 CC(CC(=O)O)OCC#N 21562a890821fc012e09d5d22bab806a [0,2,0,0,0,0|1,0,1]=4 1899 B9R0.4 CC(CC(=O)O)OCC=O 9fd72e4383abedaf34b13def7c8a057b [0,2,0,0,0,0|1,0,1]=4 1900 B9R0.4 CC(CC(=O)O)OCCF 9f416da46c9c293ab23e60b18d16f471 [0,2,0,0,0,0|1,0,0]=3 1901 B9R0.4 CC(CC(=O)O)OCCS 3dd9e26375cdcf4681c093bf5c86e3fc [0,2,0,0,0,0|1,0,0]=3 1902 B9R0.4 CCCCC(C)NC(=O)C 8c6d1ed0c215b53ce5178d84ca54f179 [0,2,0,0,0,0|1,0,0]=3 1903 B9R0.4 CCCCN(C)CC(=O)N 11a1371995cbb23558bde2849897cd1f [0,2,0,0,0,0|1,0,0]=3 1904 B9R0.4 CCCCN(C)CC(=O)O 2ab0d2e55fe8aec010bf103a963bc69a [0,2,0,0,0,0|0,0,0]=2 1905 B9R0.4 CCCCN(C)CC(C)O 885ac1e2b39af10834325662cfe0c521 [0,2,0,0,0,0|1,0,1]=4 1906 B9R0.4 CCCCN(C)C[C@@H](C)O 3d71bb087df95077ac3c9f938e607228 [0,2,0,0,0,0|1,0,1]=4 1907 B9R0.4 CCCCN(C)C[C@H](C)O 784ba747758412e3f61b82e60d7f8c6e [0,2,0,0,0,0|1,0,1]=4 1908 B9R0.4 CCCCN(C)C[N+](=O)[O-] 15bc4247075163550463ccc97238b34f [0,2,0,0,0,0|1,0,1]=4 1909 B9R0.4 CCCC[C@@H](C)NC(=O)C 438042d33778c53023e503021e96ec24 [0,2,0,0,0,0|1,0,0]=3 1910 B9R0.4 CCCNC(=O)CC(=O)C 3d765e0f91c6d37be151ce60eea0bf0d [0,2,0,0,0,0|1,0,1]=4 1911 B9R0.4 CCCNC(=O)CC(=O)N 4059559630988efa01804c5ea211f439 [0,2,0,0,0,0|1,0,1]=4 1912 B9R0.4 CCCNC(C)CC(=O)O 2d5bf9ae8b9d33e8e5f89637131f543d [0,2,0,0,0,0|0,0,0]=2 1913 B9R0.4 CCCNC(C)CC(C)O 98aedfcb0c4404029eedc1338854ce8c [0,2,0,0,0,0|1,0,1]=4 1914 B9R0.4 CCCNC(C)OC(=O)C 284b4f4f851898134a79c6bd0e68afcb [0,2,0,0,0,0|2,0,0]=4 1915 B9R0.4 CCCN[C@@H](C)CC(=O)O 7dd12827a70b6d0f3eb1d105dd87e0f1 [0,2,0,0,0,0|0,0,0]=2 1916 B9R0.4 CCCN[C@H](C)CC(=O)O 49558fe427823d5af7fc8494312831dd [0,2,0,0,0,0|0,0,0]=2 1917 B9R0.4 CCCOC(C)CC(=O)N 7cf4be07e7dc937d6ecb8463967854c0 [0,2,0,0,0,0|1,0,0]=3 1918 B9R0.4 CCCOC(C)CC(=O)O 464f5b57c4d27de1c96f770591eff582 [0,2,0,0,0,0|0,0,0]=2 1919 B9R0.4 CCCOC(C)C[N+](=O)[O-] ad8354c1f5266ca94ef2b943016280b5 [0,2,0,0,0,0|1,0,1]=4 1920 B9R0.4 CCCOC(C)OC(=O)C 6c8b7c881ac77e2983b8764698a63829 [0,2,0,0,0,0|2,0,0]=4 1921 B9R0.4 CCCO[C@@H](C)CC(=O)O 672c62b3f5b285724de30ca7be3b4175 [0,2,0,0,0,0|0,0,0]=2 1922 B9R0.4 CCCO[C@H](C)CC(=O)O 78d34951f815792f2a0561852a75d7ea [0,2,0,0,0,0|0,0,0]=2 1923 B9R0.4 CCNCC(O)CC(=O)O 02bb2a3b8bce33db43c21894720f909a [0,2,0,0,0,0|0,0,0]=2 1924 B9R0.4 CCNC[C@@H](O)CC(=O)O 54b4ddf2085c3305103a3bf1339d420e [0,2,0,0,0,0|0,0,0]=2 1925 B9R0.4 CCNC[C@H](O)CC(=O)O 4584b045ec61df30c14bf052bebdc4b7 [0,2,0,0,0,0|0,0,0]=2 1926 B9R0.4 CCOCC(C)NC(=O)C 891e676bd6e096c9e78b579a4d42a446 [0,2,0,0,0,0|2,0,0]=4 1927 B9R0.4 CCOCN(C)CC(=O)N 3f2fa03280875450069a7ca45bb5a142 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.4 CCOCN(C)CC(=O)O 4256c877b9befd6c7672b731e0ef19d3 [0,2,0,0,0,0|1,0,0]=3 1929 B9R0.4 CCOC[C@@H](C)NC(=O)C 82a9a914977322c59ad71ebab295e094 [0,2,0,0,0,0|2,0,0]=4 1930 B9R0.4 CN(CCC#N)CC(=O)O b6189c60dab8da7d0e37557ba3a3ab51 [0,2,0,0,0,0|1,0,1]=4 1931 B9R0.4 CN(CCC=O)CC(=O)O 59fa05e094f7be06a59bae3f1cb68898 [0,2,0,0,0,0|1,0,1]=4 1932 B9R0.4 CN(CCCF)CC(=O)N 1f272e5a874222b3e12c264d3c0393df [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.4 CN(CCCF)CC(=O)O daae18585a4edad046d8e7cf5857ea62 [0,2,0,0,0,0|1,0,0]=3 1934 B9R0.4 CN(CCCO)CC(=O)N 2cf8473631d181ba7fe335e6287fbf91 [0,2,0,0,0,0|2,0,0]=4 1935 B9R0.4 CN(CCCO)CC(=O)O 92663a30e18fe103a2042493da2adef9 [0,2,0,0,0,0|1,0,0]=3 1936 B9R0.4 CN(CCCS)CC(=O)N de9d018ded98578e94220b2608394c9d [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.4 CN(CCCS)CC(=O)O e6cefed2a7241559ae7d60ae4a2c5333 [0,2,0,0,0,0|1,0,0]=3 1938 B9R0.4 CN(CCON)CC(=O)O 9d7e8e288045c2c2df5e20efd431910a [0,2,0,0,0,0|2,0,0]=4 1939 B9R0.4 COCCN(C)CC(=O)N 448db3e3b58a5685e8588e13dc93be67 [0,2,0,0,0,0|2,0,0]=4 1940 B9R0.4 COCCN(C)CC(=O)O 3ec55bcb2ffdbac5ba2cd2153b901598 [0,2,0,0,0,0|1,0,0]=3 1941 B9R0.4 COCNC(C)CC(=O)O bdd3c4ac12ec667d560eb5ade66eadf9 [0,2,0,0,0,0|1,0,0]=3 1942 B9R0.4 COCN[C@@H](C)CC(=O)O 4b81306ee6db218e1b372a75a0b0c2f0 [0,2,0,0,0,0|1,0,0]=3 1943 B9R0.4 COCN[C@H](C)CC(=O)O 818aa4572c41952106f807fa5cf3ab38 [0,2,0,0,0,0|1,0,0]=3 1944 B9R0.4 COCOC(C)CC(=O)O e4795a30f6180746c828b10734be8c74 [0,2,0,0,0,0|1,0,0]=3 1945 B9R0.4 COCO[C@@H](C)CC(=O)O 49833e6f04b5f2fdf75e458c967a7948 [0,2,0,0,0,0|1,0,0]=3 1946 B9R0.4 COCO[C@H](C)CC(=O)O 765396246824776e46490c64897c4638 [0,2,0,0,0,0|1,0,0]=3 1947 B9R0.4 CSCCN(C)CC(=O)N 8e2d1a7102cd8411ae44c2d7e50835dd [0,2,0,0,0,0|2,0,0]=4 1948 B9R0.4 CSCCN(C)CC(=O)O 0f0cc55bdca109b4ba7871c4d09278eb [0,2,0,0,0,0|1,0,0]=3 1949 B9R0.4 CSCNC(C)CC(=O)O 4241a9c2ff111280db351016191e8370 [0,2,0,0,0,0|1,0,0]=3 1950 B9R0.4 CSCN[C@@H](C)CC(=O)O 726b4fd612fce34bc66b4c1104c65f69 [0,2,0,0,0,0|1,0,0]=3 1951 B9R0.4 CSCN[C@H](C)CC(=O)O 93bb6ece58999a9701d836c8d56af5da [0,2,0,0,0,0|1,0,0]=3 1952 B9R0.4 CSCOC(C)CC(=O)N af4c2afd288a15ee14238dc19e02472e [0,2,0,0,0,0|2,0,0]=4 1953 B9R0.4 CSCOC(C)CC(=O)O 8960316d76a52d36cff0632f6a8a6a82 [0,2,0,0,0,0|1,0,0]=3 1954 B9R0.4 CSCO[C@@H](C)CC(=O)O 950648eb7385f49e6308659ead0c2a76 [0,2,0,0,0,0|1,0,0]=3 1955 B9R0.4 CSCO[C@H](C)CC(=O)O e5cb5d5e67dbe01167902ba3b365c14b [0,2,0,0,0,0|1,0,0]=3 1956 B9R0.4 C[C@@H](CC(=O)O)NCC#N 8535603aa506265d93611dda2c62f654 [0,2,0,0,0,0|1,0,1]=4 1957 B9R0.4 C[C@@H](CC(=O)O)NCC=O 61f815c552e042769d4d4f90edfce438 [0,2,0,0,0,0|1,0,1]=4 1958 B9R0.4 C[C@@H](CC(=O)O)NCCF 618a0c24e5c55843ce8edb4caec723f0 [0,2,0,0,0,0|1,0,0]=3 1959 B9R0.4 C[C@@H](CC(=O)O)NCCO f1302a077d62282b824321ee35a8059e [0,2,0,0,0,0|1,0,0]=3 1960 B9R0.4 C[C@@H](CC(=O)O)NCCS 5d7d40247ddb99f3d68b90786e69ddbb [0,2,0,0,0,0|1,0,0]=3 1961 B9R0.4 C[C@@H](CC(=O)O)OCC#N a1560da538dacec812ad2b648ec86ec5 [0,2,0,0,0,0|1,0,1]=4 1962 B9R0.4 C[C@@H](CC(=O)O)OCC=O afad9ddae2004cc03830c79908d592c0 [0,2,0,0,0,0|1,0,1]=4 1963 B9R0.4 C[C@@H](CC(=O)O)OCCF 5c0f2e4119dfa55ab335c16ab0367197 [0,2,0,0,0,0|1,0,0]=3 1964 B9R0.4 C[C@@H](CC(=O)O)OCCS 95108e5655092fc4113468a510808654 [0,2,0,0,0,0|1,0,0]=3 1965 B9R0.4 C[C@H](CC(=O)O)NCC#N 2c1f0cf9b9f687284995abb8dc7844fc [0,2,0,0,0,0|1,0,1]=4 1966 B9R0.4 C[C@H](CC(=O)O)NCC=O 8ad60e5c3f750e74022ec085d11788c1 [0,2,0,0,0,0|1,0,1]=4 1967 B9R0.4 C[C@H](CC(=O)O)NCCF 20751cb9b29a347f4c1a5217e86a8518 [0,2,0,0,0,0|1,0,0]=3 1968 B9R0.4 C[C@H](CC(=O)O)NCCO 5a022e1cde4048f3a447d9f460edd75d [0,2,0,0,0,0|1,0,0]=3 1969 B9R0.4 C[C@H](CC(=O)O)NCCS 0e4f4fa60a5012cf1fca3e5091c18f41 [0,2,0,0,0,0|1,0,0]=3 1970 B9R0.4 C[C@H](CC(=O)O)OCC#N cef74b7d39d1261d6940bb08c5c2b71a [0,2,0,0,0,0|1,0,1]=4 1971 B9R0.4 C[C@H](CC(=O)O)OCC=O 5898615cb0e02bab189a5a3da6d20aec [0,2,0,0,0,0|1,0,1]=4 1972 B9R0.4 C[C@H](CC(=O)O)OCCF f5b48f7a21ef3e4b18c68d6fc0bb22c6 [0,2,0,0,0,0|1,0,0]=3 1973 B9R0.4 C[C@H](CC(=O)O)OCCS a1e94870d79cddf896a1bd4028514c04 [0,2,0,0,0,0|1,0,0]=3 1974 B9R0.4 O=C(O)CC(O)CNCF 9de17aeb8156f9b30eae4a928d55d408 [0,2,0,0,0,0|1,0,0]=3 1975 B9R0.4 O=C(O)CC(O)CNCO d51ade6d66756563bbc84453fda67d62 [0,2,0,0,0,0|1,0,0]=3 1976 B9R0.4 O=C(O)C[C@@H](O)CNCF e06fd31c8d2997a1f63214946e26a10a [0,2,0,0,0,0|1,0,0]=3 1977 B9R0.4 O=C(O)C[C@@H](O)CNCO aa032d8b3fc8a184994c5d27aeeb5075 [0,2,0,0,0,0|1,0,0]=3 1978 B9R0.4 O=C(O)C[C@H](O)CNCF 8c3349543124a531516a5ca6a55a4ab6 [0,2,0,0,0,0|1,0,0]=3 1979 B9R0.4 O=C(O)C[C@H](O)CNCO 19fadec569eb61b632db1521edc1b9f2 [0,2,0,0,0,0|1,0,0]=3 1980 B9R0.6 CC(C(=O)O)N(C)CCF e44cd4cbe19f77a1288c72785e09d4ca [0,2,0,0,0,0|2,0,0]=4 1981 B9R0.6 CC(C(=O)O)N(C)CCO 24a541fd10360206d0222569d1abf7e3 [0,2,0,0,0,0|2,0,0]=4 1982 B9R0.6 CC(C(=O)O)N(C)CCS 59424363d2350ed7fde780fb4de14e27 [0,2,0,0,0,0|2,0,0]=4 1983 B9R0.6 CC(OCF)C(C)C(=O)O 65d47df94c61384b516882aa40a31329 [0,2,0,0,0,0|2,0,0]=4 1984 B9R0.6 CCCN(C)C(C)C(=O)C 0ed03c9188e77740bffc26f0c2820448 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.6 CCCN(C)C(C)C(=O)N 48f19b616238debf7809f80535f95c35 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.6 CCCN(C)C(C)C(=O)O f70fec3653f8caa91c122702576f4a6d [0,2,0,0,0,0|1,0,0]=3 1987 B9R0.6 CCCN(C)C(F)C(=O)N aa6c72104d8d518f3861ce06834c9755 [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.6 CCCN(C)[C@@H](C)C(=O)N 17553a457ad1447714697d601bac57ee [0,2,0,0,0,0|2,0,0]=4 1989 B9R0.6 CCCN(C)[C@@H](C)C(=O)O 33f2c0d3908618aac995bd4430161391 [0,2,0,0,0,0|1,0,0]=3 1990 B9R0.6 CCCN(C)[C@H](C)C(=O)N 77eba5d5b60bad6e1f7fa42ad8b17a9f [0,2,0,0,0,0|2,0,0]=4 1991 B9R0.6 CCCN(C)[C@H](C)C(=O)O 5c8b184c0ab62c90ff99df884739207b [0,2,0,0,0,0|1,0,0]=3 1992 B9R0.6 CCOC(C)C(C)C(=O)O 0340fa6b71e090f1b398080bd25b7143 [0,2,0,0,0,0|1,0,0]=3 1993 B9R0.6 COCN(C)C(C)C(=O)O 58493b6e50645657ba85e8c482465391 [0,2,0,0,0,0|2,0,0]=4 1994 B9R0.6 COCN(C)[C@@H](C)C(=O)O 73a054d8912c72cb95dce991aab29537 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.6 COCN(C)[C@H](C)C(=O)O f51663443e14d28b46b54ec9d30f1173 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.6 CSCN(C)C(C)C(=O)O 614a73aead9c5ac8d865975d6529b701 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.6 CSCN(C)[C@@H](C)C(=O)O b9e680512af92360df7a1d0bb832e1bf [0,2,0,0,0,0|2,0,0]=4 1998 B9R0.6 CSCN(C)[C@H](C)C(=O)O 97ca591a395fb45fb0d3c825d20c81ac [0,2,0,0,0,0|2,0,0]=4 1999 B9R0.6 C[C@@H](C(=O)O)N(C)CCF b7bd913ce83947407cb082115140a640 [0,2,0,0,0,0|2,0,0]=4 2000 B9R0.6 C[C@@H](C(=O)O)N(C)CCO 321cb42b3f4d5036ff661e1050f70812 [0,2,0,0,0,0|2,0,0]=4 2001 B9R0.6 C[C@@H](C(=O)O)N(C)CCS 4a5a8539b9d5e852a5c8fd15b8863ea4 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.6 C[C@H](C(=O)O)N(C)CCF ef3ec66328511d59c447568526ce02a1 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.6 C[C@H](C(=O)O)N(C)CCO 65459b20ae0e22507258b13b8a6201b1 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.6 C[C@H](C(=O)O)N(C)CCS 7304b6ec7cb9add7c3c1faf010cc60e8 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.14 CCC(CC(=O)O)NCF c8416d3387249110d906445dfd47021b [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.14 CCC(CC(=O)O)NCO 854a3f707e850876fb09e8e934a0addc [0,2,0,0,0,0|2,0,0]=4 2007 B9R0.14 CCC(CC(=O)O)OCF 468103e807211f2b09b87714cb52c75b [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.14 CCCC(CO)NC(=O)C f3bf17abc83f73293b80dc3dfcb282f9 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.14 CCCN(CC)CC(=O)N 9bf9e40bad95314a8a84e74e0471e384 [0,2,0,0,0,0|2,0,0]=4 2010 B9R0.14 CCCN(CC)CC(=O)O 3343166bff6a93f1a85ce8253803b19e [0,2,0,0,0,0|1,0,0]=3 2011 B9R0.14 CCCN(CF)CC(=O)O 21355191fdc7ce92b7c643dead498d77 [0,2,0,0,0,0|1,0,0]=3 2012 B9R0.14 CCCN(CO)CC(=O)O a14f517247eea95393f8f124f075bdf9 [0,2,0,0,0,0|1,0,0]=3 2013 B9R0.14 CCC[C@@H](CO)NC(=O)C 1f7828ff873e7c1f12c0daf2d17463c6 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.14 CCC[C@H](CO)NC(=O)C da4d526e59be455b3e6f6ae6f972462b [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.14 CCN(CCCl)CC(=O)O 403f715f5c6fe36d21bf6c5696a15127 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.14 CCN(CCF)CC(=O)O 9363597ee4b976e54757cc5583545bd2 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.14 CCN(CCO)CC(=O)O a910f1ae38fa7155c7b0579d5026162e [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.14 CCN(CCS)CC(=O)O 6ec05f62d2e444c0ffbe9eee263c8a2c [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.14 CCN(COC)CC(=O)O 396b8dfa8e235ba68ab33cc02ba85b2f [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.14 CCN(CSC)CC(=O)O b9cab41d30c096602678e37256675821 [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.14 CCNC(CC)CC(=O)O 46b3094fad7cebceb8943df84913f37e [0,2,0,0,0,0|1,0,0]=3 2022 B9R0.14 CCNC(CO)CC(=O)O de42f1ec16e1fb0c1f9931b1f91f5c75 [0,2,0,0,0,0|1,0,0]=3 2023 B9R0.14 CCN[C@@H](CC)CC(=O)O 21df25326eabd4481a004736f4916afa [0,2,0,0,0,0|1,0,0]=3 2024 B9R0.14 CCN[C@@H](CO)CC(=O)O 4c04f88414ade284e774f0dd3cf1d8d4 [0,2,0,0,0,0|1,0,0]=3 2025 B9R0.14 CCN[C@H](CC)CC(=O)O a15a38745d4cdc3a3747943041323451 [0,2,0,0,0,0|1,0,0]=3 2026 B9R0.14 CCN[C@H](CO)CC(=O)O a308a18a97c9f53f7fd9fcb31e04fbd8 [0,2,0,0,0,0|1,0,0]=3 2027 B9R0.14 CCOC(CC)CC(=O)O 067fe73a7b822a47a7ba0f3d160fbef0 [0,2,0,0,0,0|1,0,0]=3 2028 B9R0.14 CCO[C@@H](CC)CC(=O)O 33e42c57d3d148d94f92e79e109828f9 [0,2,0,0,0,0|1,0,0]=3 2029 B9R0.14 CCO[C@H](CC)CC(=O)O 455a3fd4e9034df148e3bfd48e87cfe6 [0,2,0,0,0,0|1,0,0]=3 2030 B9R0.14 CC[C@@H](CC(=O)O)NCF 2b6e17b5c5543b7aef94a495b74ba341 [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.14 CC[C@@H](CC(=O)O)NCO 8aae4f0e6ae84c7880313232076671d3 [0,2,0,0,0,0|2,0,0]=4 2032 B9R0.14 CC[C@@H](CC(=O)O)OCF a3bfff8ada89b4fc30e51ffe3516e980 [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.14 CC[C@H](CC(=O)O)NCF 4e32572c5ac7213e41a4a7032c96c0a8 [0,2,0,0,0,0|2,0,0]=4 2034 B9R0.14 CC[C@H](CC(=O)O)NCO fcd4074b59e4e3418d62793abb6ab9e1 [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.14 CC[C@H](CC(=O)O)OCF 6ffc009862a12455bfd233e2a3930c6c [0,2,0,0,0,0|2,0,0]=4 2036 B9R0.14 O=C(O)CC(CO)NCF d868a67ad17b2ba73c7196121d8595d2 [0,2,0,0,0,0|2,0,0]=4 2037 B9R0.14 O=C(O)CC(CO)NCO 2421ad8190ddf6be09dd84a049df16b7 [0,2,0,0,0,0|2,0,0]=4 2038 B9R0.14 O=C(O)CN(CF)CCO baf48b2902b74d482cb2bc2e8eafd3f9 [0,2,0,0,0,0|2,0,0]=4 2039 B9R0.14 O=C(O)CN(CO)CCO ff99656facc30a5de7e795faadbd43ba [0,2,0,0,0,0|2,0,0]=4 2040 B9R0.14 O=C(O)C[C@@H](CO)NCF 3ead710aa9b1f38be25e9a5df8bfb86a [0,2,0,0,0,0|2,0,0]=4 2041 B9R0.14 O=C(O)C[C@@H](CO)NCO 85d31f6650b2aea90a9f2b7d501c474f [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.14 O=C(O)C[C@H](CO)NCF 67bbe1bf3929fcdaf15089f77de15dd0 [0,2,0,0,0,0|2,0,0]=4 2043 B9R0.14 O=C(O)C[C@H](CO)NCO c8916738da5cc0d97bcb967090995c68 [0,2,0,0,0,0|2,0,0]=4 2044 B9R0.23 CC(CC(=O)O)N(C)CF 86c04df1cbc3118a36f6456c0382068b [0,2,0,0,0,0|2,0,0]=4 2045 B9R0.23 CC(CC(=O)O)N(C)CO c6b41a1684495ec12e16617ae033a720 [0,2,0,0,0,0|2,0,0]=4 2046 B9R0.23 CC(CO)N(C)CC(=O)O 9e070eef5f318fe46c235cf3ef744af9 [0,2,0,0,0,0|2,0,0]=4 2047 B9R0.23 CCC(C)C(C)NC(=O)C c6415ea83b7186fa422502fb21dba14b [0,2,0,0,0,0|2,0,0]=4 2048 B9R0.23 CCC(C)N(C)CC(=O)N bde7733eb8ed4c41132bbdb1311c2abf [0,2,0,0,0,0|2,0,0]=4 2049 B9R0.23 CCC(C)N(C)CC(=O)O 75aef3e777568a148fc6457fb567c3e8 [0,2,0,0,0,0|1,0,0]=3 2050 B9R0.23 CCN(C)C(C)CC(=O)O abeb707970b255b95a0917af44198a47 [0,2,0,0,0,0|1,0,0]=3 2051 B9R0.23 C[C@@H](CO)N(C)CC(=O)O 28f9fcefb5baf6112312a5544f0c6757 [0,2,0,0,0,0|2,0,0]=4 2052 B9R0.23 C[C@H](CO)N(C)CC(=O)O 506d89a3b4907e205d467d9fb789b7c5 [0,2,0,0,0,0|2,0,0]=4 2053 B9R0.34 C#CC(=O)NC(C)CCC 9ef6b2a06bd3e21b68b6e6b9a4d6e65c [0,2,0,0,0,0|2,0,0]=4 2054 B9R0.34 C#CC(=O)N[C@@H](C)CCC c9717a49753ea79f46cf92ea3c41222f [0,2,0,0,0,0|2,0,0]=4 2055 B9R0.34 C=C(C=O)OC(C)CCC 979f90834a5eca82fa0a112573062881 [0,2,0,0,0,0|2,0,0]=4 2056 B9R0.34 C=C(CN(C)CCC)OC 4b1347482598cf292a1ac84b6f7cec98 [0,2,0,0,0,0|2,0,0]=4 2057 B9R0.34 C=C(CO)CN(C)CCC 517b6ab86ed3cd7a6be3ba32d3b63364 [0,2,0,0,0,0|2,0,0]=4 2058 B9R0.34 C=CC(=O)NC(C)CCC 5ac77412dce7bf0021b564aebcc19f5a [0,2,0,0,0,0|2,0,0]=4 2059 B9R0.34 C=CC(=O)N[C@@H](C)CCC 679261b3434e976ef3fab88d3604d028 [0,2,0,0,0,0|2,0,0]=4 2060 B9R0.34 CC(CCO)NC(=O)CO 0427225a7df4f14d3ecf575fbe1c2ca8 [0,2,0,0,0,0|2,0,0]=4 2061 B9R0.34 CCCC(C)NC(=O)C=O dc38ba5950699f1803639c5140fa8f50 [0,2,0,0,0,0|1,0,1]=4 2062 B9R0.34 CCCC(C)NC(=O)CC 1c5e7d013b6d8314fad6ff12635fab4a [0,2,0,0,0,0|2,0,0]=4 2063 B9R0.34 CCCC(C)NC(=O)CF cd7744f1d589c1a7b205a0234a07d025 [0,2,0,0,0,0|2,0,0]=4 2064 B9R0.34 CCCC(C)NC(=O)CO 984314b099c12612925dab4544371cf9 [0,2,0,0,0,0|1,0,0]=3 2065 B9R0.34 CCCC(C)NC(=O)CS 3bb1ac3eb0af8520569c681c11dd1e08 [0,2,0,0,0,0|1,1,0]=4 2066 B9R0.34 CCCN(C)CC(=O)CC c80c7d6de1d5253ede7d75a7d9fc6b4c [0,2,0,0,0,0|2,0,0]=4 2067 B9R0.34 CCCN(C)CC(=O)CO 1841a828916dd36659413f240ce49dae [0,2,0,0,0,0|1,0,0]=3 2068 B9R0.34 CCCN(C)CC(=O)NC d85e1507ae005559e38ddcbdbef008c1 [0,2,0,0,0,0|2,0,0]=4 2069 B9R0.34 CCCN(C)CC(=O)OC c724ec5b9ab34c00a457a6a511b7bf14 [0,2,0,0,0,0|1,0,0]=3 2070 B9R0.34 CCC[C@H](C)NC(=O)C=O 81441a404e2525c1e98a6c56f6b1e7e7 [0,2,0,0,0,0|1,0,1]=4 2071 B9R0.34 CCC[C@H](C)NC(=O)CC ad5f66cc617489af6f8b7c428b7d7795 [0,2,0,0,0,0|2,0,0]=4 2072 B9R0.34 CCC[C@H](C)NC(=O)CF dfb674c0934ab272546ec19a7393ba83 [0,2,0,0,0,0|2,0,0]=4 2073 B9R0.34 CCC[C@H](C)NC(=O)CO d75a0e1acfe3e1874736f9eab8d0c961 [0,2,0,0,0,0|1,0,0]=3 2074 B9R0.34 CCC[C@H](C)NC(=O)CS b9cba590ec9acd80841d765b6372692b [0,2,0,0,0,0|1,1,0]=4 2075 B9R0.34 CCNC(C)CC(=O)OC 8f5a36e5208499c391d24b252a12bf38 [0,2,0,0,0,0|1,0,0]=3 2076 B9R0.34 CCN[C@@H](C)CC(=O)OC 9e23f1bf52061ebf026cb501e421df05 [0,2,0,0,0,0|1,0,0]=3 2077 B9R0.34 CCN[C@H](C)CC(=O)OC 996cd301be79ec168f4649523ee618f0 [0,2,0,0,0,0|1,0,0]=3 2078 B9R0.34 CCOC(C)CC(=O)OC bb8935a6b3f2527590add1883d9af4ba [0,2,0,0,0,0|1,0,0]=3 2079 B9R0.34 CCO[C@@H](C)CC(=O)OC aac0a176fbc44f8c523dab5a743853de [0,2,0,0,0,0|1,0,0]=3 2080 B9R0.34 CCO[C@H](C)CC(=O)OC 3c6c55836fc2ed2696b0ec29d17e7dcf [0,2,0,0,0,0|1,0,0]=3 2081 B9R0.34 CN(CCF)CC(=O)CO 7a10749312a8bc2b11792e6a9e1d10c3 [0,2,0,0,0,0|2,0,0]=4 2082 B9R0.34 CN(CCO)CC(=O)CO aa6f2c46c2ac30157f3207f73e04182c [0,2,0,0,0,0|2,0,0]=4 2083 B9R0.34 COC(=O)CC(C)NCF 0a7538be72429a002b6b34a850e63618 [0,2,0,0,0,0|2,0,0]=4 2084 B9R0.34 COC(=O)CC(C)NCO 9753ba70d33825a7595610867e756db2 [0,2,0,0,0,0|2,0,0]=4 2085 B9R0.34 COC(=O)CC(C)OCF 68dbeec4b12b0259cc1cb07aaaa75105 [0,2,0,0,0,0|2,0,0]=4 2086 B9R0.34 COC(=O)CN(C)CCF 7b41865c913d9b2c4d4122ccac5837a9 [0,2,0,0,0,0|2,0,0]=4 2087 B9R0.34 COC(=O)CN(C)CCO 1aad489fa1b45518825201dd6f7c38ac [0,2,0,0,0,0|2,0,0]=4 2088 B9R0.34 COC(=O)CN(C)CCS 8a8c2fe6c6a87cff3965790c5275f6ca [0,2,0,0,0,0|2,0,0]=4 2089 B9R0.34 COC(=O)CN(C)CSC 0d6887e7a7c91b703c53f416b59021da [0,2,0,0,0,0|2,0,0]=4 2090 B9R0.34 COC(=O)C[C@@H](C)NCF e8a318d42732337cd2ff2138a3efff74 [0,2,0,0,0,0|2,0,0]=4 2091 B9R0.34 COC(=O)C[C@@H](C)NCO d777fda6d4f2319c41cbabe57c5b3877 [0,2,0,0,0,0|2,0,0]=4 2092 B9R0.34 COC(=O)C[C@@H](C)OCF 7f7d1856387b433cec9b5e54411bfa81 [0,2,0,0,0,0|2,0,0]=4 2093 B9R0.34 COC(=O)C[C@H](C)NCF 2e3f06d4fde4df2be2e62c70eb519f8b [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.34 COC(=O)C[C@H](C)NCO 3fd4d27b51ca9c405e6a5685f286ea0c [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.34 COC(=O)C[C@H](C)OCF 5de665b9654f96b29e1d14acbc21116f [0,2,0,0,0,0|2,0,0]=4 2096 B9R0.34 COCC(C)NC(=O)CO d3dec175a25d21bb24b4de7fa1880277 [0,2,0,0,0,0|2,0,0]=4 2097 B9R0.34 COCN(C)CC(=O)OC 33349a2663dda1be891b3184c8c7f1e3 [0,2,0,0,0,0|2,0,0]=4 2098 B9R0.34 COC[C@@H](C)NC(=O)CO 405e40dd9fb1508be50d272312b405f6 [0,2,0,0,0,0|2,0,0]=4 2099 B9R0.34 COC[C@H](C)NC(=O)CO c178bb49851d9a839be1a7cecd60fa18 [0,2,0,0,0,0|2,0,0]=4 2100 B9R0.34 C[C@@H](CCO)NC(=O)CO 492e5a8b88c4346847f95b6840bbc2bb [0,2,0,0,0,0|2,0,0]=4 2101 B9R0.34 C[C@H](CCO)NC(=O)CO 5fe807d3416590bf88e86606c4b71e27 [0,2,0,0,0,0|2,0,0]=4 2102 B9R0.44 CCCN(C)CS(=O)(=O)O fabf78212daa1b7d67db98d922dbe2f1 [0,2,0,0,0,0|2,0,0]=4 2103 B9R0.53 C=C(C)CN(C)CC(=O)O 4cf70052902d112170b9898763232e96 [0,2,0,0,0,0|1,0,1]=4 2104 B9R0.53 CC(=O)NC(C)CC(C)C 8d45cf038526f1f1b21f03625b96bc5a [0,2,0,0,0,0|2,0,0]=4 2105 B9R0.53 CC(=O)NC(C)CC(C)O 63f7a0b1a21e0057f34d593522b48745 [0,2,0,0,0,0|2,0,0]=4 2106 B9R0.53 CC(C)CN(C)CC(=O)N 5c9cc70a1c45a460bca69f8e74d95b33 [0,2,0,0,0,0|2,0,0]=4 2107 B9R0.53 CC(C)CN(C)CC(=O)O 8c62f4b6b1fb144868fb4d2e68a9ef67 [0,2,0,0,0,0|1,0,0]=3 2108 B9R0.53 CC(C)NC(C)CC(=O)O 3f158c2507a9d14e5e314adf36bf882d [0,2,0,0,0,0|1,0,0]=3 2109 B9R0.53 CC(C)N[C@@H](C)CC(=O)O a9f55dfe91b2c83d047ae147d6dcde4a [0,2,0,0,0,0|1,0,0]=3 2110 B9R0.53 CC(C)N[C@H](C)CC(=O)O be43bec59f1dc06e78d63a1757b9b9df [0,2,0,0,0,0|1,0,0]=3 2111 B9R0.53 CC(C)OC(C)CC(=O)N 1a3f71026defdb4bc1466fbd6846828b [0,2,0,0,0,0|2,0,0]=4 2112 B9R0.53 CC(C)OC(C)CC(=O)O acd7e8b77db52152b38441c0f09dd249 [0,2,0,0,0,0|1,0,0]=3 2113 B9R0.53 CC(C)O[C@@H](C)CC(=O)O dc36387ca698e3189cbbcbaa8e6d5745 [0,2,0,0,0,0|1,0,0]=3 2114 B9R0.53 CC(C)O[C@H](C)CC(=O)O f085fe61e3ea06f844e5841e23963683 [0,2,0,0,0,0|1,0,0]=3 2115 B9R0.53 CC(O)CN(C)CC(=O)N 0789383bf3113b2b66ba2f420a1c9ffa [0,2,0,0,0,0|2,0,0]=4 2116 B9R0.53 CC(O)CN(C)CC(=O)O 36b5f303d7d498b862a96e5f52dfaaee [0,2,0,0,0,0|1,0,0]=3 2117 B9R0.53 CN(C)CN(C)CC(=O)O 607e109ef7149c2b024c53aa781b5121 [0,2,0,0,0,0|2,0,0]=4 2118 B9R0.53 CN(CC(=O)O)CC(F)F c47cd36c81b539c29f59925d8656ca52 [0,2,0,0,0,0|2,0,0]=4 2119 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 64d4e45be8472fd0e9cbc6e5a9974573 [0,2,0,0,0,0|2,0,0]=4 2120 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 5af70c256fb5937ef5e9d353811b57e0 [0,2,0,0,0,0|1,0,0]=3 2121 B9R0.53 C[C@H](O)CN(C)CC(=O)N 816fbfffe2b5a7af4d98a7fbc3565c00 [0,2,0,0,0,0|2,0,0]=4 2122 B9R0.53 C[C@H](O)CN(C)CC(=O)O be06a32a46d065021265c880ebd02b82 [0,2,0,0,0,0|1,0,0]=3 2123 B9R0.58 CC(C)(CC(=O)O)NCF 230342c0b6536257d64c9b6641dc9f32 [0,2,0,0,0,0|2,0,0]=4 2124 B9R0.58 CC(C)(CC(=O)O)NCO e214872f61baefd9a58667932f0a622a [0,2,0,0,0,0|2,0,0]=4 2125 B9R0.58 CCNC(C)(C)CC(=O)C 0a483d9b0e78dfb99f3239cddd5bae6f [0,2,0,0,0,0|2,0,0]=4 2126 B9R0.58 CCNC(C)(C)CC(=O)N 7de0c734444bf18f757afb453ba7c286 [0,2,0,0,0,0|2,0,0]=4 2127 B9R0.58 CCNC(C)(C)CC(=O)O c2e011573111aa7d9c8a484914b52077 [0,2,0,0,0,0|1,0,0]=3 2128 B9R0.1 C#CC(=O)NCCC(C)C ab400f6b7166fed0666f6daf0c7c788f [0,2,0,0,0,0|2,0,0]=4 2129 B9R0.1 C#CC(=O)NCCC(C)O 0a271e484191d63957d29a982cdbb6de [0,2,0,0,0,0|2,0,0]=4 2130 B9R0.1 C#CC(=O)NCC[C@@H](C)O 6ee57ba67d49f2c5ef58dcf3b74a20db [0,2,0,0,0,0|2,0,0]=4 2131 B9R0.1 C#CC(=O)NCC[C@H](C)O 191129d5b02480ef54c830bc828fe028 [0,2,0,0,0,0|2,0,0]=4 2132 B9R0.1 C#CC(C)NCCC(=O)C ac667b8f4ffa52e68d0af30ae7a4599b [0,2,0,0,0,0|2,0,0]=4 2133 B9R0.1 C#CC(C)NCCC(=O)N bb5498e6f5daa83225410874de2d4bb3 [0,2,0,0,0,0|2,0,0]=4 2134 B9R0.1 C#CC(C)NCCC(=O)O b5fa8c47938cc1ab8b71133a233a8712 [0,2,0,0,0,0|1,0,0]=3 2135 B9R0.1 C#CC(C)NCCS(=O)O 756f55e29876956058968cdec02eaf78 [0,2,0,0,0,0|2,0,0]=4 2136 B9R0.1 C#CC(C)OCCC(=O)C 4e094f4db2dd264c41b7da02528b8deb [0,2,0,0,0,0|2,0,0]=4 2137 B9R0.1 C#CC(C)OCCC(=O)N 493f278de5ee31d2b517f0f21caf9b31 [0,2,0,0,0,0|2,0,0]=4 2138 B9R0.1 C#CC(C)OCCC(=O)O ca456cda53aab7a3e9ddc1555a141e4b [0,2,0,0,0,0|1,0,0]=3 2139 B9R0.1 C#C[C@@H](C)NCCC(=O)C 0c1237cf3962727bf4a99c757e2cf33b [0,2,0,0,0,0|2,0,0]=4 2140 B9R0.1 C#C[C@@H](C)NCCC(=O)N 5665d61a5c0ef83ba7afa5af32b539dd [0,2,0,0,0,0|2,0,0]=4 2141 B9R0.1 C#C[C@@H](C)NCCC(=O)O 2c3e5d536ee20bb10e4a276f986c03f0 [0,2,0,0,0,0|1,0,0]=3 2142 B9R0.1 C#C[C@@H](C)OCCC(=O)C 7e586dd88e16e7dd536fb64f2b8dd52b [0,2,0,0,0,0|2,0,0]=4 2143 B9R0.1 C#C[C@@H](C)OCCC(=O)N 95b4a4115d66e21038d7baf157fdcad3 [0,2,0,0,0,0|2,0,0]=4 2144 B9R0.1 C#C[C@@H](C)OCCC(=O)O 5e9b30e37e8c265f10c7585c2f2ca95a [0,2,0,0,0,0|1,0,0]=3 2145 B9R0.1 C#C[C@H](C)NCCC(=O)C 318d7a262b86ea661eb7ce21f0740553 [0,2,0,0,0,0|2,0,0]=4 2146 B9R0.1 C#C[C@H](C)NCCC(=O)N 6c010dc5b76fd46ef718b65cee87af09 [0,2,0,0,0,0|2,0,0]=4 2147 B9R0.1 C#C[C@H](C)NCCC(=O)O cc5bdbda6a0b246c6e6e23c2baac79c5 [0,2,0,0,0,0|1,0,0]=3 2148 B9R0.1 C#C[C@H](C)OCCC(=O)C 7e08e889f3f187ec5b8f08b81e2918a3 [0,2,0,0,0,0|2,0,0]=4 2149 B9R0.1 C#C[C@H](C)OCCC(=O)N 5a8e4cbb98ad55e206166c46d17a3a96 [0,2,0,0,0,0|2,0,0]=4 2150 B9R0.1 C#C[C@H](C)OCCC(=O)O 017cc2bf4609698c2e4663c93f9a5f21 [0,2,0,0,0,0|1,0,0]=3 2151 B9R0.1 C/C(=C\I)/COCC(=O)O f0d281ce2da52f078eed6df8efd49932 [0,2,0,0,0,0|1,0,1]=4 2152 B9R0.1 C=C(Br)CCOC(C)CC 091e084d3b6d1f82050c012325f204dd [0,2,0,0,0,0|2,0,0]=4 2153 B9R0.1 C=C(Br)CNCC(C)CC 981fc4bb74e598a40b1ff531d96d951a [0,2,0,0,0,0|2,0,0]=4 2154 B9R0.1 C=C(Br)CNCC(O)CC 4ff49eefc5d4f3344b24078b5812fb6a [0,2,0,0,0,0|2,0,0]=4 2155 B9R0.1 C=C(Br)CNC[C@@H](C)CC 3d05347509c6f7b0b8ea2128766d5683 [0,2,0,0,0,0|2,0,0]=4 2156 B9R0.1 C=C(Br)CNC[C@H](C)CC 482805fb21b45b39bbaeb88c7242fa36 [0,2,0,0,0,0|2,0,0]=4 2157 B9R0.1 C=C(Br)CNC[C@H](O)CC 7dc2f15a196901a81c904fc965862947 [0,2,0,0,0,0|2,0,0]=4 2158 B9R0.1 C=C(Br)COCC(C)CC e3c93140f7f9139cbd63ce3d8b91006f [0,2,0,0,0,0|2,0,0]=4 2159 B9R0.1 C=C(Br)COC[C@@H](C)CC 80766ee122c1e21cd3669d6da61c1402 [0,2,0,0,0,0|2,0,0]=4 2160 B9R0.1 C=C(Br)COC[C@H](C)CC 30d0d8ee9b254c321f85f05ca5650727 [0,2,0,0,0,0|2,0,0]=4 2161 B9R0.1 C=C(C)CCCN(C)CC 7e9a863cc15c250535771cbf79007e78 [0,2,0,0,0,0|2,0,0]=4 2162 B9R0.1 C=C(C)CCNC(=O)CO 34d93ab5ed36ace089117a109aed2076 [0,2,0,0,0,0|1,0,1]=4 2163 B9R0.1 C=C(C)CCNC(C)CC 3e59254196aed313540af75c07c39315 [0,2,0,0,0,0|2,0,0]=4 2164 B9R0.1 C=C(C)CCN[C@@H](C)CC dd5db3d0315db4cd17c73027333e9aec [0,2,0,0,0,0|2,0,0]=4 2165 B9R0.1 C=C(C)CCN[C@H](C)CC 17f8689567b0cd30665489930711fefc [0,2,0,0,0,0|2,0,0]=4 2166 B9R0.1 C=C(C)CCOC(C)CC c1ab39b33b060b66872a7a99cb42b49c [0,2,0,0,0,0|2,0,0]=4 2167 B9R0.1 C=C(C)CCO[C@@H](C)CC 1a113e19745c74a32b97d0777a65f856 [0,2,0,0,0,0|2,0,0]=4 2168 B9R0.1 C=C(C)CCO[C@H](C)CC 10f668905abfc9df65d3d95b2b060ce8 [0,2,0,0,0,0|2,0,0]=4 2169 B9R0.1 C=C(C)CNCC(=O)CO 247e9010bc9651cac50f307b86ba439e [0,2,0,0,0,0|1,0,1]=4 2170 B9R0.1 C=C(C)CNCC(=O)NO 6715f0dd461108561c9ed13517cd8037 [0,2,0,0,0,0|1,0,1]=4 2171 B9R0.1 C=C(C)CNCC(=O)OC c333e980167d9fefdd828559eb49e425 [0,2,0,0,0,0|1,0,1]=4 2172 B9R0.1 C=C(C)CNCC(C)CC d4f1c6767e155a1fd81f2d6f4b177c23 [0,2,0,0,0,0|2,0,0]=4 2173 B9R0.1 C=C(C)CNCC(O)CC 2ee1dafbd05c8cf3866bf3e2ab88c344 [0,2,0,0,0,0|2,0,0]=4 2174 B9R0.1 C=C(C)CNC[C@@H](C)CC 6206249324b67e9f83a35f5c528b1179 [0,2,0,0,0,0|2,0,0]=4 2175 B9R0.1 C=C(C)CNC[C@H](C)CC cb261ab2a6f6774f97476ebf10cee194 [0,2,0,0,0,0|2,0,0]=4 2176 B9R0.1 C=C(C)CNC[C@H](O)CC 1cd546e36201607a149497a9372ee6f8 [0,2,0,0,0,0|2,0,0]=4 2177 B9R0.1 C=C(C)COCC(=O)OC ef2f938506a463bb6101f9cac476c9e5 [0,2,0,0,0,0|1,0,1]=4 2178 B9R0.1 C=C(C)COCC(C)CC 3adee05156cf1068a7c305dcd2622cc9 [0,2,0,0,0,0|2,0,0]=4 2179 B9R0.1 C=C(C)COC[C@@H](C)CC a9f511de537b539852049654668eb445 [0,2,0,0,0,0|2,0,0]=4 2180 B9R0.1 C=C(C)COC[C@H](C)CC 7d2830ec8db581fdaca9ec3884531144 [0,2,0,0,0,0|2,0,0]=4 2181 B9R0.1 C=C(C=O)OCCC(C)C 993d6c44e913d202317615362ca5bde2 [0,2,0,0,0,0|2,0,0]=4 2182 B9R0.1 C=C(CC)CNCC(=O)C 205628c3f1d4d54a613a330b5d6c2214 [0,2,0,0,0,0|1,0,1]=4 2183 B9R0.1 C=C(CC)CNCC(=O)N 94b4243675063b97fbaab08b2e05f843 [0,2,0,0,0,0|1,0,1]=4 2184 B9R0.1 C=C(CC)CNCC(=O)O 3494cd583a0b63f9a90da7dbe9a93496 [0,2,0,0,0,0|0,0,1]=3 2185 B9R0.1 C=C(CC)COCC(=O)C f78ccdd12164ec1e55403e8a41ad2fdd [0,2,0,0,0,0|1,0,1]=4 2186 B9R0.1 C=C(CC)COCC(=O)N 4f32e5a5255bcb5998807b1f2368f780 [0,2,0,0,0,0|1,0,1]=4 2187 B9R0.1 C=C(CC)COCC(=O)O ee3b330f9d46b7ad6bddc2068ae1158b [0,2,0,0,0,0|0,0,1]=3 2188 B9R0.1 C=C(CC)COCS(=O)O 7aab1649717de3c8233335d122bd8463 [0,2,0,0,0,0|1,0,1]=4 2189 B9R0.1 C=C(CNCC(=O)O)OC f4fd4a44109d7013bab3a36a299e88b2 [0,2,0,0,0,0|1,0,1]=4 2190 B9R0.1 C=C(CNCC(C)C)OC bf9b4f59f58eaec222a3a6cdd8a92bd5 [0,2,0,0,0,0|2,0,0]=4 2191 B9R0.1 C=C(CNCC(C)O)OC f2ce10bc8c3506268b8a2dc5bfec215d [0,2,0,0,0,0|2,0,0]=4 2192 B9R0.1 C=C(CNC[C@@H](C)O)OC 1a33465ce3ac8fff2511c4f5b7f1135e [0,2,0,0,0,0|2,0,0]=4 2193 B9R0.1 C=C(CNC[C@H](C)O)OC 1329b71bf6831cbec9b01177a58eedc3 [0,2,0,0,0,0|2,0,0]=4 2194 B9R0.1 C=C(CO)CNCC(=O)O cc7acc22e8e7c17a96eec1e4e62087c5 [0,2,0,0,0,0|1,0,1]=4 2195 B9R0.1 C=C(CO)CNCC(C)C c5e0af2295dac523f48c52a0b4209519 [0,2,0,0,0,0|2,0,0]=4 2196 B9R0.1 C=C(CO)CNCC(C)O 666f2527c598e5fbb83b03550e519004 [0,2,0,0,0,0|2,0,0]=4 2197 B9R0.1 C=C(CO)CNC[C@@H](C)O f2602544efecf528f6441846f88d8ac1 [0,2,0,0,0,0|2,0,0]=4 2198 B9R0.1 C=C(CO)CNC[C@H](C)O 54962f4550e30d9a9ef44166cc6dca06 [0,2,0,0,0,0|2,0,0]=4 2199 B9R0.1 C=C(COCC(=O)O)OC f9327aabdff60543e9573117092b2bbe [0,2,0,0,0,0|1,0,1]=4 2200 B9R0.1 C=C(COCC(C)C)OC 521b02cb87efe41e53290b0868255ca0 [0,2,0,0,0,0|2,0,0]=4 2201 B9R0.1 C=C(COCC(C)F)OC 5bda66444f5cbac6f36df2befdc0fd32 [0,2,0,0,0,0|2,0,0]=4 2202 B9R0.1 C=C(COCC(C)S)OC 15c67f9238e46fcb84ffafd4d0a0a825 [0,2,0,0,0,0|2,0,0]=4 2203 B9R0.1 C=C(COC[C@@H](C)F)OC 18b2024a3c402946f10b1f62ac3e1a64 [0,2,0,0,0,0|2,0,0]=4 2204 B9R0.1 C=C(COC[C@H](C)F)OC 754e32c805ca08c867e9f5b1c04c66fa [0,2,0,0,0,0|2,0,0]=4 2205 B9R0.1 C=C(Cl)CNCC(C)CC 11c5950a5d91f0f0029477709543a1de [0,2,0,0,0,0|2,0,0]=4 2206 B9R0.1 C=C(Cl)CNCC(O)CC 4e40f748e99914c62c6cfa1d268f6630 [0,2,0,0,0,0|2,0,0]=4 2207 B9R0.1 C=C(Cl)CNC[C@@H](C)CC 98cafe9df3b2af14b613988adbe5a405 [0,2,0,0,0,0|2,0,0]=4 2208 B9R0.1 C=C(Cl)CNC[C@H](O)CC 0c80e6f43c1c8832aa2b0c526e0eec42 [0,2,0,0,0,0|2,0,0]=4 2209 B9R0.1 C=C(Cl)COCC(C)CC 8e12aa49282ca4c7aa5e587f6776b5d0 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.1 C=C(Cl)COC[C@@H](C)CC d6c8c8ec8af5460477d1adf7526bd82b [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.1 C=C(Cl)COC[C@H](C)CC 26b9477bafe654353a35ccf76484b54b [0,2,0,0,0,0|2,0,0]=4 2212 B9R0.1 C=C(F)CNCC(O)CC 19f94b65ebce91b585fa671cbe47e1be [0,2,0,0,0,0|2,0,0]=4 2213 B9R0.1 C=C(F)CNC[C@H](O)CC 969b2119df1cb966d40e8d5da028c640 [0,2,0,0,0,0|2,0,0]=4 2214 B9R0.1 C=C(F)COCC(C)CC e971ce5b3a2f222771833358944ad7b1 [0,2,0,0,0,0|2,0,0]=4 2215 B9R0.1 C=C(F)COC[C@@H](C)CC 8754031d741b3a81e01246240a2af29d [0,2,0,0,0,0|2,0,0]=4 2216 B9R0.1 C=C(F)COC[C@H](C)CC 053b257de75e3ab9fbda44f561cf7b93 [0,2,0,0,0,0|2,0,0]=4 2217 B9R0.1 C=C(I)COCC(C)CC 6a37480b984d6a3a88d2a97c430f900f [0,2,0,0,0,0|2,0,0]=4 2218 B9R0.1 C=C(I)COC[C@@H](C)CC ebcd6aead02ff5da05d6692ec4f20a14 [0,2,0,0,0,0|2,0,0]=4 2219 B9R0.1 C=C(I)COC[C@H](C)CC 7cecb5a281b9320016babbf18a636c32 [0,2,0,0,0,0|2,0,0]=4 2220 B9R0.1 C=CC(=O)NCCC(C)C 3eac58699bc526229809032762dcd7ee [0,2,0,0,0,0|2,0,0]=4 2221 B9R0.1 C=CC(=O)NCCC(C)O 008a52cf2dca8e7c1e23b81639bb6755 [0,2,0,0,0,0|2,0,0]=4 2222 B9R0.1 C=CC(=O)NCC[C@@H](C)O 28dba9c045f1f465900b10b663ac039a [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.1 C=CC(=O)NCC[C@H](C)O 6c52302fd5dd8f1ddb807dd5e32c4406 [0,2,0,0,0,0|2,0,0]=4 2224 B9R0.1 C=CC(C)COCC(=O)N ae9bc94dd26e7a18053afc948b9436c9 [0,2,0,0,0,0|2,0,0]=4 2225 B9R0.1 C=CC(C)COCC(=O)O b37de9a6da072d47f216f61c5cd125d6 [0,2,0,0,0,0|1,0,0]=3 2226 B9R0.1 C=CC(C)NCCC(=O)C 457f6d262ba13d08c71dcb593daa26f2 [0,2,0,0,0,0|2,0,0]=4 2227 B9R0.1 C=CC(C)NCCC(=O)N cfbfcca6230e3217dcae6bc69c125632 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.1 C=CC(C)NCCC(=O)O 79ff7d3cdb6746c9598fe1cfb61269b1 [0,2,0,0,0,0|1,0,0]=3 2229 B9R0.1 C=CC(C)NCCS(=O)O 41e77d0b9fb78d37ba8e984ea5643a86 [0,2,0,0,0,0|2,0,0]=4 2230 B9R0.1 C=CC(C)OCCC(=O)C dfb65db25ab8c59bf238c7e9df2821b1 [0,2,0,0,0,0|2,0,0]=4 2231 B9R0.1 C=CC(C)OCCC(=O)N 2a4682cec24a6b5042cd59f60759f4b9 [0,2,0,0,0,0|2,0,0]=4 2232 B9R0.1 C=CC(C)OCCC(=O)O 715e83dec8bd7b5ea255c0588e4ec66b [0,2,0,0,0,0|1,0,0]=3 2233 B9R0.1 C=CC(O)CNCC(=O)O d0b59efe1792f320492cea2216816851 [0,2,0,0,0,0|0,0,2]=4 2234 B9R0.1 C=C[C@H](C)OCCC(=O)C 9bbd1cc0e46dfd5c6e8db01fc1773cb1 [0,2,0,0,0,0|2,0,0]=4 2235 B9R0.1 C=C[C@H](C)OCCC(=O)N a469ad7a9ee6069799852369b28bf27c [0,2,0,0,0,0|2,0,0]=4 2236 B9R0.1 C=C[C@H](C)OCCC(=O)O 713b61bf87b3acb53853822b10178bd4 [0,2,0,0,0,0|1,0,0]=3 2237 B9R0.1 CC(=CI)COCC(=O)O d7f29fd9312a0373f092e69ba8eaa817 [0,2,0,0,0,0|1,0,1]=4 2238 B9R0.1 CC(=O)CCNC(C)C#N 44728734b40103358aae0e5741482f76 [0,2,0,0,0,0|2,0,0]=4 2239 B9R0.1 CC(=O)CCNC(C)CO 01ba95f6b1e359cb3c703695e54af8f9 [0,2,0,0,0,0|2,0,0]=4 2240 B9R0.1 CC(=O)CCN[C@@H](C)CO cfee917e546e694eb8cfec1ddb21f4ff [0,2,0,0,0,0|2,0,0]=4 2241 B9R0.1 CC(=O)CCN[C@H](C)CO 6a8f8df3011cfcce7cd31192a422cdd8 [0,2,0,0,0,0|2,0,0]=4 2242 B9R0.1 CC(=O)CCOC(C)C=O cb160a994c939e385607c4106d0006ba [0,2,0,0,0,0|2,0,0]=4 2243 B9R0.1 CC(=O)CCOC(C)CF 2b40c92c280f522bdc6bcc23530c56f2 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.1 CC(=O)CCOC(C)CS 727af9312bf0bae1f3dfb371a20f5514 [0,2,0,0,0,0|2,0,0]=4 2245 B9R0.1 CC(=O)CCO[C@H](C)C=O 0cefdf85f806832833faf787e48b718b [0,2,0,0,0,0|2,0,0]=4 2246 B9R0.1 CC(=O)CCO[C@H](C)CS ca9c10e49fb951095de6ae1c1ca5c0e6 [0,2,0,0,0,0|2,0,0]=4 2247 B9R0.1 CC(=O)CNCC(=O)CO a884728253f1dbd88805a142b0c876b6 [0,2,0,0,0,0|1,0,1]=4 2248 B9R0.1 CC(=O)CNCC(C)C#N e8cf96da0757e23fec59bd9d9f21863b [0,2,0,0,0,0|2,0,0]=4 2249 B9R0.1 CC(=O)CNCC(C)CO 687573d47da7078f008452b6941cfbb6 [0,2,0,0,0,0|2,0,0]=4 2250 B9R0.1 CC(=O)CNCC(O)CF dae4f209c6741610d562bfbe54fd9b4b [0,2,0,0,0,0|2,0,0]=4 2251 B9R0.1 CC(=O)CNCC(O)CO 7df10622569579ec4e37135d617c20f8 [0,2,0,0,0,0|2,0,0]=4 2252 B9R0.1 CC(=O)CNC[C@@H](C)CO 83d4361a5af389dd1a51e847e0c228db [0,2,0,0,0,0|2,0,0]=4 2253 B9R0.1 CC(=O)CNC[C@@H](O)CO f38bd77162dcfb4e06fb2eb4600c9073 [0,2,0,0,0,0|2,0,0]=4 2254 B9R0.1 CC(=O)CNC[C@H](C)CO 0c7d13a9c50e9968d7e5477a482d94c3 [0,2,0,0,0,0|2,0,0]=4 2255 B9R0.1 CC(=O)CNC[C@H](O)CO 5a00c829e2ca3328b3583f6a763316af [0,2,0,0,0,0|2,0,0]=4 2256 B9R0.1 CC(=O)COCC(C)C#N e23de54c4c766c9dffac1e17f6f01f97 [0,2,0,0,0,0|2,0,0]=4 2257 B9R0.1 CC(=O)COCC(O)CO b5303e7df9e726b681ea5d404ed3bc97 [0,2,0,0,0,0|2,0,0]=4 2258 B9R0.1 CC(=O)COC[C@@H](O)CO 78cf96cbedfae3de09518ee1c5c9b9f8 [0,2,0,0,0,0|2,0,0]=4 2259 B9R0.1 CC(=O)COC[C@H](O)CO e9c68d561b4f4daa98b62962f8db89cb [0,2,0,0,0,0|2,0,0]=4 2260 B9R0.1 CC(=O)NCCC(=O)NO 7869db29b1010d2c8be4de04860ee1c2 [0,2,0,0,0,0|1,0,1]=4 2261 B9R0.1 CC(=O)NCCC(C)CO bebfc27f0403b0ff17a662d28cff0e43 [0,2,0,0,0,0|2,0,0]=4 2262 B9R0.1 CC(=O)NCCC(O)CO 6dba80410c8d6e60b084a12c9a16e519 [0,2,0,0,0,0|2,0,0]=4 2263 B9R0.1 CC(=O)NCC[C@@H](C)CO caf7a94637e8711be8cab6e4c356b0b6 [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.1 CC(C#N)CNCC(=O)N 716a5c371f0394ba3b881b4597899b33 [0,2,0,0,0,0|2,0,0]=4 2265 B9R0.1 CC(C#N)CNCC(=O)O 690b9c42e94c9bde7fbf2cdbf8d4eca2 [0,2,0,0,0,0|1,0,0]=3 2266 B9R0.1 CC(C#N)COCC(=O)N c4d9afb3fd6472696d31c5b7739900a9 [0,2,0,0,0,0|2,0,0]=4 2267 B9R0.1 CC(C#N)COCC(=O)O 5e1e962d1c3a873fc728b08a62a84674 [0,2,0,0,0,0|1,0,0]=3 2268 B9R0.1 CC(C#N)COCS(=O)O 764f0f7a68861618296eb193f6a7e7d8 [0,2,0,0,0,0|2,0,0]=4 2269 B9R0.1 CC(C#N)NCCC(=O)N 1c753019a34642faba1d8d3cdffe039e [0,2,0,0,0,0|2,0,0]=4 2270 B9R0.1 CC(C#N)NCCC(=O)O a71e77ce50f1b855f7d576c5d6f6289e [0,2,0,0,0,0|1,0,0]=3 2271 B9R0.1 CC(C#N)NCCS(=O)O b6f20fbc78ab8e00b80e042d9328c637 [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.1 CC(C)CCNC(=O)C=O 3e18bda81d0213cfda084da64572a73c [0,2,0,0,0,0|1,0,1]=4 2273 B9R0.1 CC(C)CCNC(=O)CF ae30f120fb51a70967c828ddab28084f [0,2,0,0,0,0|2,0,0]=4 2274 B9R0.1 CC(C)CCNC(=O)CO fccf2f1416923531307bedc30f22484d [0,2,0,0,0,0|1,0,0]=3 2275 B9R0.1 CC(C)CCNC(=O)CS 9b985f09b4180fe941275afc381f1265 [0,2,0,0,0,0|1,1,0]=4 2276 B9R0.1 CC(C)CNCC(=O)CO ee418b1e31d09b89331f9ca774457c43 [0,2,0,0,0,0|1,0,0]=3 2277 B9R0.1 CC(C)CNCC(=O)NO 135c365afbac52555b37c8c2533721ab [0,2,0,0,0,0|1,0,0]=3 2278 B9R0.1 CC(C)NCCC(=O)NO 82d2f393212433db94ed45a332a78d9e [0,2,0,0,0,0|1,0,0]=3 2279 B9R0.1 CC(C=O)NCCC(=O)N 0a497b65732dd54e85210165ecae12a6 [0,2,0,0,0,0|2,0,0]=4 2280 B9R0.1 CC(C=O)NCCC(=O)O c047f24fc3d15f3badbf76260054cc9f [0,2,0,0,0,0|1,0,0]=3 2281 B9R0.1 CC(C=O)NCCS(=O)O 6315fcac9ac91eb3ba34381bd1615fc2 [0,2,0,0,0,0|2,0,0]=4 2282 B9R0.1 CC(C=O)OCCC(=O)N 723758d0da03869338ad7f140180561f [0,2,0,0,0,0|2,0,0]=4 2283 B9R0.1 CC(C=O)OCCC(=O)O 056bb2d7d93cc893e2815e75c928f63b [0,2,0,0,0,0|1,0,0]=3 2284 B9R0.1 CC(CF)OCCC(=O)N 77e5540c955a9bd5601c5ff0437ec4f8 [0,2,0,0,0,0|2,0,0]=4 2285 B9R0.1 CC(CF)OCCC(=O)O e6767e000962bf0da8753ce7298bf1cf [0,2,0,0,0,0|1,0,0]=3 2286 B9R0.1 CC(CO)CNCC(=O)N 1515f5dca39d8974b65c9c8e576ba458 [0,2,0,0,0,0|2,0,0]=4 2287 B9R0.1 CC(CO)CNCC(=O)O 545002bd59f1a831ceb97793e95beb08 [0,2,0,0,0,0|1,0,0]=3 2288 B9R0.1 CC(CO)NCCC(=O)N b00aad0bfd7caa3a7945ce46f42cbd7d [0,2,0,0,0,0|2,0,0]=4 2289 B9R0.1 CC(CO)NCCC(=O)O 7af196631507732ccee08e53dff47c19 [0,2,0,0,0,0|1,0,0]=3 2290 B9R0.1 CC(CO)NCCS(=O)O ffb21d9235aff6fcb4d16a8dd5a43574 [0,2,0,0,0,0|2,0,0]=4 2291 B9R0.1 CC(CS)OCCC(=O)N 084f32928b5b0a54f93fef70f63ed831 [0,2,0,0,0,0|2,0,0]=4 2292 B9R0.1 CC(O)CCNC(=O)C=O 500a57bebfd5261d3f0f8c9320411135 [0,2,0,0,0,0|1,0,1]=4 2293 B9R0.1 CC(O)CCNC(=O)CF 7c4df54bb4c03e0cfed039993eb83c4a [0,2,0,0,0,0|2,0,0]=4 2294 B9R0.1 CC(O)CCNC(=O)CO bea318e52af2faf0abfc14754050cafc [0,2,0,0,0,0|1,0,0]=3 2295 B9R0.1 CC(O)CCNC(=O)CS c0d269a5f96db7c36bd65f277c5f2e77 [0,2,0,0,0,0|1,1,0]=4 2296 B9R0.1 CC(O)CNCC(=O)CO 6b4b0f5a2695c38dccc74856e24bd074 [0,2,0,0,0,0|1,0,0]=3 2297 B9R0.1 CC(O)CNCC(=O)NO 6e73041981f85b6af4f7ae6484b1fe5b [0,2,0,0,0,0|1,0,0]=3 2298 B9R0.1 CCC(=O)CNCC(=O)C 938d73b249bc6dd4594641d324714cb6 [0,2,0,0,0,0|1,0,1]=4 2299 B9R0.1 CCC(=O)CNCC(=O)N b1f11e2d5f5ee8c4d027ab9d5809c520 [0,2,0,0,0,0|1,0,1]=4 2300 B9R0.1 CCC(=O)CNCC(=O)O 7018cc82507b5cf3388be4a1b0a3b91b [0,2,0,0,0,0|0,0,1]=3 2301 B9R0.1 CCC(=O)CNCC(C)C f89eb8c1da421bdd2c2a0f52a3227e7b [0,2,0,0,0,0|2,0,0]=4 2302 B9R0.1 CCC(=O)CNCC(C)O a20b1e849513a8941047bd9c440c4344 [0,2,0,0,0,0|2,0,0]=4 2303 B9R0.1 CCC(=O)CNC[C@@H](C)O 2e3fedb1efa9f0f66bc486911a9f8e3a [0,2,0,0,0,0|2,0,0]=4 2304 B9R0.1 CCC(=O)CNC[C@H](C)O 61f52c4a5ade0238ce10614525e75211 [0,2,0,0,0,0|2,0,0]=4 2305 B9R0.1 CCC(=O)COCC(=O)C c66cb35c51394e114e947994917edf5c [0,2,0,0,0,0|1,0,1]=4 2306 B9R0.1 CCC(=O)COCC(=O)N 4d32515e208c3a78476e0dfcc1e32b89 [0,2,0,0,0,0|1,0,1]=4 2307 B9R0.1 CCC(=O)COCC(=O)O 1a72a234de91ee3fa394daead68a119d [0,2,0,0,0,0|0,0,1]=3 2308 B9R0.1 CCC(=O)COCC(C)C 1c45ddeeaf5a279e0fccbc8ffb25aed9 [0,2,0,0,0,0|2,0,0]=4 2309 B9R0.1 CCC(=O)COCC(C)F 91df8a377e9f937cdf7b9a4dbc1d8ea9 [0,2,0,0,0,0|2,0,0]=4 2310 B9R0.1 CCC(=O)COCC(C)S d1be480c334d894200d3e9bbcc1d4bf5 [0,2,0,0,0,0|2,0,0]=4 2311 B9R0.1 CCC(=O)COCS(=O)O 98632b158ffaf2399404c1c73005ee05 [0,2,0,0,0,0|1,0,1]=4 2312 B9R0.1 CCC(=O)COC[C@@H](C)F caad4436b920c8b328478f7df99675f5 [0,2,0,0,0,0|2,0,0]=4 2313 B9R0.1 CCC(=O)COC[C@H](C)F afd400ebd46039e71d2dcae521490671 [0,2,0,0,0,0|2,0,0]=4 2314 B9R0.1 CCC(=O)NCCC(=O)N 17f638fb9136d22630942c7277f78330 [0,2,0,0,0,0|1,0,1]=4 2315 B9R0.1 CCC(=O)NCCC(C)C 15f0ff154b73608d9b867dc114dba5c0 [0,2,0,0,0,0|2,0,0]=4 2316 B9R0.1 CCC(=O)NCCC(C)O 2aec2e6bb9fbc54ce13f19b2630a008a [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.1 CCC(=O)NCCS(=O)O 47bf6ac1d2cd1854145b39436f351711 [0,2,0,0,0,0|1,0,1]=4 2318 B9R0.1 CCC(=O)NCC[C@@H](C)O dc1da85b4b434a8327a030b4b9c29cc5 [0,2,0,0,0,0|2,0,0]=4 2319 B9R0.1 CCC(=O)NCC[C@H](C)O e060f68859aae796ceb23995e0446069 [0,2,0,0,0,0|2,0,0]=4 2320 B9R0.1 CCC(C)CCNC(=O)C 2da423144efbc22bf5c1e3503bb1535e [0,2,0,0,0,0|1,0,0]=3 2321 B9R0.1 CCC(C)CNCC(=O)C 38219368305ac283b328948de524c748 [0,2,0,0,0,0|1,0,0]=3 2322 B9R0.1 CCC(C)CNCC(=O)N 16522a2e22028faf802074861520249b [0,2,0,0,0,0|1,0,0]=3 2323 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [0,2,0,0,0,0|0,0,0]=2 2324 B9R0.1 CCC(C)CNCC(C)O 2565fefe893fb592504bf3eb9b9f9263 [0,2,0,0,0,0|1,0,1]=4 2325 B9R0.1 CCC(C)CNC[C@@H](C)O 3206056fc3d595c27a3727eeef23ed1b [0,2,0,0,0,0|1,0,1]=4 2326 B9R0.1 CCC(C)CNC[C@H](C)O 7518c3737ca09a588caddc5048aac33b [0,2,0,0,0,0|1,0,1]=4 2327 B9R0.1 CCC(C)CNC[N+](=O)[O-] 068de4f8b1ca53a43e6540741dc39a8b [0,2,0,0,0,0|1,0,1]=4 2328 B9R0.1 CCC(C)COCC(=O)C bd04825963a18a80e53433b8af338adb [0,2,0,0,0,0|1,0,0]=3 2329 B9R0.1 CCC(C)COCC(=O)N 2a0ba5bb8f81333cdbeea70ace57393a [0,2,0,0,0,0|1,0,0]=3 2330 B9R0.1 CCC(C)COCC(=O)O 1a5759c434f27c176d5bad2fa82f04ef [0,2,0,0,0,0|0,0,0]=2 2331 B9R0.1 CCC(C)COCC(=S)N 55ef566efc4ab6e72735313e0e433e49 [0,2,0,0,0,0|1,1,0]=4 2332 B9R0.1 CCC(C)COCS(=O)O aa2f448e10aac758f905eaea4ded0bb5 [0,2,0,0,0,0|1,0,0]=3 2333 B9R0.1 CCC(C)COC[N+](=O)[O-] 745f15624642a882da5b732a4eee2a0b [0,2,0,0,0,0|1,0,1]=4 2334 B9R0.1 CCC(C)NCCC(=O)C 553b77e78208b9e578091ff5b7a7dbdb [0,2,0,0,0,0|1,0,0]=3 2335 B9R0.1 CCC(C)NCCC(=O)N 1a4e576a5df92bfad9c34a96c5e494ae [0,2,0,0,0,0|1,0,0]=3 2336 B9R0.1 CCC(C)NCCC(=O)O a58859ee191bb6759b209bcd54bebe4e [0,2,0,0,0,0|0,0,0]=2 2337 B9R0.1 CCC(C)NCCC(=S)N a908450007e25a71c98e5e23ec373b39 [0,2,0,0,0,0|1,1,0]=4 2338 B9R0.1 CCC(C)NCCC(C)O dda59110f1c0fb7493f1aaff05307dd4 [0,2,0,0,0,0|1,0,1]=4 2339 B9R0.1 CCC(C)NCCS(=O)C fa17ca3cf9f3eaf4d4c144b34f44cd9a [0,2,0,0,0,0|2,0,0]=4 2340 B9R0.1 CCC(C)NCCS(=O)O 72c84b7af723b02c5376adf14512bab4 [0,2,0,0,0,0|1,0,0]=3 2341 B9R0.1 CCC(C)NCC[C@@H](C)O fb3a959625849719803d70bc59f6fd53 [0,2,0,0,0,0|1,0,1]=4 2342 B9R0.1 CCC(C)NCC[C@H](C)O b64181209b00f8f962601d14c2173d61 [0,2,0,0,0,0|1,0,1]=4 2343 B9R0.1 CCC(C)NCOC(=O)C 23aa0ac2e47ba04a5a139a2e1c0bf0de [0,2,0,0,0,0|2,0,0]=4 2344 B9R0.1 CCC(C)NCSC(=O)N 99818846aaffb2d6958455e86b9a4762 [0,2,0,0,0,0|2,0,0]=4 2345 B9R0.1 CCC(C)OCCC(=O)C 3c4819c84edde006647b7f4661484ff1 [0,2,0,0,0,0|1,0,0]=3 2346 B9R0.1 CCC(C)OCCC(=O)N c80df9816dad84b994c7ec7d952479b6 [0,2,0,0,0,0|1,0,0]=3 2347 B9R0.1 CCC(C)OCCC(=O)O 861df1c98ebd5a3521ba6de3206bc80e [0,2,0,0,0,0|0,0,0]=2 2348 B9R0.1 CCC(C)OCCS(=O)C e67f403f4904a01e724c3d61f00e1775 [0,2,0,0,0,0|2,0,0]=4 2349 B9R0.1 CCC(C)OCC[N+](=O)[O-] 2ed110549f6c3bf31f3ceb6d374ed380 [0,2,0,0,0,0|1,0,1]=4 2350 B9R0.1 CCC(C)OCNC(=O)C 8183d13cbf9d8c857b25fb9915a8e602 [0,2,0,0,0,0|2,0,0]=4 2351 B9R0.1 CCC(C)OCNC(=O)N 8bdf4dea8e83697fdf038441dcfc0b21 [0,2,0,0,0,0|2,0,0]=4 2352 B9R0.1 CCC(C)OCOC(=O)C f818c8d88ded73092c135f186b34a6ed [0,2,0,0,0,0|2,0,0]=4 2353 B9R0.1 CCC(C)OCSC(=O)N 10be0faea3701cb21a8b6267ba5f766e [0,2,0,0,0,0|2,0,0]=4 2354 B9R0.1 CCC(O)CNCC(=O)C ede59564767224e151ba36bea1af43f8 [0,2,0,0,0,0|1,0,0]=3 2355 B9R0.1 CCC(O)CNCC(=O)N 0115c55aa91aa51240c8355946838a03 [0,2,0,0,0,0|1,0,0]=3 2356 B9R0.1 CCC(O)CNCC(=O)O 03d5356d375bf79d740c17da46436b7f [0,2,0,0,0,0|0,0,0]=2 2357 B9R0.1 CCC(O)CNCC(C)O f9e9e374837b88a79d2fd4a7e9502440 [0,2,0,0,0,0|1,0,1]=4 2358 B9R0.1 CCC(O)CNC[C@@H](C)O e93a46e9017ba81255d29fcb8f02d039 [0,2,0,0,0,0|1,0,1]=4 2359 B9R0.1 CCC(O)CNC[C@H](C)O c3692e4e3ffac8dcd5c2ac3ffd24631b [0,2,0,0,0,0|1,0,1]=4 2360 B9R0.1 CCC(O)CNC[N+](=O)[O-] ab40c740d4cc118e83e60fa56ed91e85 [0,2,0,0,0,0|1,0,1]=4 2361 B9R0.1 CCN(C)C/C=C/C(=O)O c59393b71dfbf874e824ace25c6dde8a [0,2,0,0,0,0|0,0,2]=4 2362 B9R0.1 CCN(C)CC=CC(=O)O 2b5cd669133f9500117e44a88402af2e [0,2,0,0,0,0|0,0,2]=4 2363 B9R0.1 CCN(C)CCCC(=O)C 41478ee9c5261856d551150317f5e6d2 [0,2,0,0,0,0|1,0,0]=3 2364 B9R0.1 CCN(C)CCCC(=O)N 5457b0b5f3c627b5bbae3b3b0443c3e6 [0,2,0,0,0,0|1,0,0]=3 2365 B9R0.1 CCN(C)CCCC(=O)O 95bc41ded99741417784aba721ce87aa [0,2,0,0,0,0|0,0,0]=2 2366 B9R0.1 CCN(C)CCCC(C)O d0c3297e37577cc9f646df2cbf76e9af [0,2,0,0,0,0|1,0,1]=4 2367 B9R0.1 CCN(C)CCC[N+](=O)[O-] 7f6a18cc44467b2fa9f932d555390893 [0,2,0,0,0,0|1,0,1]=4 2368 B9R0.1 CCN(C)CCNC(=O)C 8261fd541df04ed3dee9f95b587853cd [0,2,0,0,0,0|2,0,0]=4 2369 B9R0.1 CCN(C)CCNC(=O)N bafdb7984409d28d75edcbc4894db829 [0,2,0,0,0,0|2,0,0]=4 2370 B9R0.1 CCN(C)CCOC(=O)C 2e72695c8766aa8c6dd0fb8fcaa7e65d [0,2,0,0,0,0|2,0,0]=4 2371 B9R0.1 CCN(C)CCSC(=O)C 6e1d069dc9e4f41572e9ef79797ac9c0 [0,2,0,0,0,0|2,0,0]=4 2372 B9R0.1 CC[C@@H](C)CNCC(=O)C 57a59e48f50a2bc35515a82d8a8c3a79 [0,2,0,0,0,0|1,0,0]=3 2373 B9R0.1 CC[C@@H](C)CNCC(=O)N 86fe84e58c34c31bc79a8f984286262c [0,2,0,0,0,0|1,0,0]=3 2374 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [0,2,0,0,0,0|0,0,0]=2 2375 B9R0.1 CC[C@@H](C)CNCC(C)O 0edb135055cb737a4bc90c1f8270c4d7 [0,2,0,0,0,0|1,0,1]=4 2376 B9R0.1 CC[C@@H](C)CNC[C@@H](C)O 06548bb51537ad4c28c0633d716d339d [0,2,0,0,0,0|1,0,1]=4 2377 B9R0.1 CC[C@@H](C)CNC[C@H](C)O cab093f359def90f74c49583fd552bc4 [0,2,0,0,0,0|1,0,1]=4 2378 B9R0.1 CC[C@@H](C)COCC(=O)C 3ea96dffd188de143cbb785260b39e0c [0,2,0,0,0,0|1,0,0]=3 2379 B9R0.1 CC[C@@H](C)COCC(=O)N 740f240e3f600ed639946b1e0e9b224f [0,2,0,0,0,0|1,0,0]=3 2380 B9R0.1 CC[C@@H](C)COCC(=O)O 8b143e0422b6a9e950b67a2c284bdd65 [0,2,0,0,0,0|0,0,0]=2 2381 B9R0.1 CC[C@@H](C)COCC(=S)N 845d22901c19e52b71204759841b42b4 [0,2,0,0,0,0|1,1,0]=4 2382 B9R0.1 CC[C@@H](C)COCS(=O)O 19b9a9e681b592b4e47910d2bc3144b8 [0,2,0,0,0,0|1,0,0]=3 2383 B9R0.1 CC[C@@H](C)COC[N+](=O)[O-] d5053705678f945de7746ecae1a09b1d [0,2,0,0,0,0|1,0,1]=4 2384 B9R0.1 CC[C@@H](C)NCCC(=O)C ee2823585fbc4d880fa3f68fe921eb3d [0,2,0,0,0,0|1,0,0]=3 2385 B9R0.1 CC[C@@H](C)NCCC(=O)N b6b2677e5edf0741bd651bdbb3611804 [0,2,0,0,0,0|1,0,0]=3 2386 B9R0.1 CC[C@@H](C)NCCC(=O)O 1e341985822ae038516e7d3d57e3d5f1 [0,2,0,0,0,0|0,0,0]=2 2387 B9R0.1 CC[C@@H](C)NCCC(C)O b7f70e273fce08932540a42165eb9d86 [0,2,0,0,0,0|1,0,1]=4 2388 B9R0.1 CC[C@@H](C)NCCS(=O)C ef3dd5974ed506c6358962ab3726809b [0,2,0,0,0,0|2,0,0]=4 2389 B9R0.1 CC[C@@H](C)NCOC(=O)C a711d08f12460f2a76c41395ffc9ec65 [0,2,0,0,0,0|2,0,0]=4 2390 B9R0.1 CC[C@@H](C)NCSC(=O)N 4296f6a08650c5d681b93398b84c69ae [0,2,0,0,0,0|2,0,0]=4 2391 B9R0.1 CC[C@@H](C)OCCC(=O)C 49267d242cdea675a244728a918e9b2e [0,2,0,0,0,0|1,0,0]=3 2392 B9R0.1 CC[C@@H](C)OCCC(=O)N 94e454e36f118d64a2660378253d5f3a [0,2,0,0,0,0|1,0,0]=3 2393 B9R0.1 CC[C@@H](C)OCCC(=O)O 460df0b016032744699dec10515440f9 [0,2,0,0,0,0|0,0,0]=2 2394 B9R0.1 CC[C@@H](C)OCCS(=O)C 9b9f925e3813153ad01d285336dc42b0 [0,2,0,0,0,0|2,0,0]=4 2395 B9R0.1 CC[C@@H](C)OCOC(=O)C 65fc54324ee0a95629ae5ef18322eb78 [0,2,0,0,0,0|2,0,0]=4 2396 B9R0.1 CC[C@@H](C)OCSC(=O)N 3b0c60f54d867c23b33abb1c316c2aca [0,2,0,0,0,0|2,0,0]=4 2397 B9R0.1 CC[C@@H](O)CNCC(=O)N 8d91f413ccf87ad2db7b150f686cd85b [0,2,0,0,0,0|1,0,0]=3 2398 B9R0.1 CC[C@@H](O)CNCC(=O)O 03733baf1864df61afe14ccbe323ed3e [0,2,0,0,0,0|0,0,0]=2 2399 B9R0.1 CC[C@@H](O)CNCC(C)O 265477c30886e7b2c75115ac34cc90f2 [0,2,0,0,0,0|1,0,1]=4 2400 B9R0.1 CC[C@@H](O)CNC[C@@H](C)O 2a3352cedf35a97fd41377552a19c99b [0,2,0,0,0,0|1,0,1]=4 2401 B9R0.1 CC[C@@H](O)CNC[C@H](C)O 84a2edef332f32db45107038b0e1bc84 [0,2,0,0,0,0|1,0,1]=4 2402 B9R0.1 CC[C@@H](O)CNC[N+](=O)[O-] 269ab3ad582297fdd9a4268ec484f622 [0,2,0,0,0,0|1,0,1]=4 2403 B9R0.1 CC[C@H](C)CNCC(=O)C f6e69c2b87b1b94a0f2513a65f560c31 [0,2,0,0,0,0|1,0,0]=3 2404 B9R0.1 CC[C@H](C)CNCC(=O)N 1896affdbe0b42f4fa2702bb9fa0f52c [0,2,0,0,0,0|1,0,0]=3 2405 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [0,2,0,0,0,0|0,0,0]=2 2406 B9R0.1 CC[C@H](C)CNCC(C)O acb0f2f402bde2189761235f28bd8537 [0,2,0,0,0,0|1,0,1]=4 2407 B9R0.1 CC[C@H](C)CNC[C@@H](C)O 8c9a2e8bd3820ab9cbf6410eab31b4a5 [0,2,0,0,0,0|1,0,1]=4 2408 B9R0.1 CC[C@H](C)CNC[C@H](C)O 23768e5495769b3c846ea18f18258f86 [0,2,0,0,0,0|1,0,1]=4 2409 B9R0.1 CC[C@H](C)CNC[N+](=O)[O-] 9bee9049907540f7b558160946c6eae0 [0,2,0,0,0,0|1,0,1]=4 2410 B9R0.1 CC[C@H](C)COCC(=O)C 80eb9e48ec554962e19de8a0a5190a68 [0,2,0,0,0,0|1,0,0]=3 2411 B9R0.1 CC[C@H](C)COCC(=O)N 618c87bafaf60a39a5844b8445445aab [0,2,0,0,0,0|1,0,0]=3 2412 B9R0.1 CC[C@H](C)COCC(=O)O d94c701382e65cef3df369dbbe944763 [0,2,0,0,0,0|0,0,0]=2 2413 B9R0.1 CC[C@H](C)COCC(=S)N 9993ad6712ea9aa5c90bd28da11fa8ea [0,2,0,0,0,0|1,1,0]=4 2414 B9R0.1 CC[C@H](C)COCS(=O)O 39955f728c40bf5dcc7b4871cd9bc9b3 [0,2,0,0,0,0|1,0,0]=3 2415 B9R0.1 CC[C@H](C)COC[N+](=O)[O-] 19c8793d4a01be6830c7dfc381098174 [0,2,0,0,0,0|1,0,1]=4 2416 B9R0.1 CC[C@H](C)NCCC(=O)C 5a9b435e46c65397c3b77d227f6c8d6d [0,2,0,0,0,0|1,0,0]=3 2417 B9R0.1 CC[C@H](C)NCCC(=O)N 20e8289367182a2a107c4742c2451855 [0,2,0,0,0,0|1,0,0]=3 2418 B9R0.1 CC[C@H](C)NCCC(=O)O 9ce7a4b5931e874b441152425137209a [0,2,0,0,0,0|0,0,0]=2 2419 B9R0.1 CC[C@H](C)NCCC(C)O 2749dbaaf30a780792b4813830b0935f [0,2,0,0,0,0|1,0,1]=4 2420 B9R0.1 CC[C@H](C)NCCS(=O)C 0f8fbcfee0e31d449c9a62890f9930d1 [0,2,0,0,0,0|2,0,0]=4 2421 B9R0.1 CC[C@H](C)NCOC(=O)C ec462d5afb28a22cfec47297688b8d5f [0,2,0,0,0,0|2,0,0]=4 2422 B9R0.1 CC[C@H](C)NCSC(=O)N d95b5607ccbac595df027faddf664742 [0,2,0,0,0,0|2,0,0]=4 2423 B9R0.1 CC[C@H](C)OCCC(=O)C 57f743174dad87e641f434790222523a [0,2,0,0,0,0|1,0,0]=3 2424 B9R0.1 CC[C@H](C)OCCC(=O)N 13ca221b762a4b3d6b0303649fde7620 [0,2,0,0,0,0|1,0,0]=3 2425 B9R0.1 CC[C@H](C)OCCC(=O)O 8aec70cd34e530a63d290d1ba3130012 [0,2,0,0,0,0|0,0,0]=2 2426 B9R0.1 CC[C@H](C)OCCS(=O)C 565808f685a16233d5f19d85e2024055 [0,2,0,0,0,0|2,0,0]=4 2427 B9R0.1 CC[C@H](C)OCOC(=O)C f590ede741d93a99ae3c6a1bb1672402 [0,2,0,0,0,0|2,0,0]=4 2428 B9R0.1 CC[C@H](C)OCSC(=O)N 26fb1e031263c83f28320f3d7239855b [0,2,0,0,0,0|2,0,0]=4 2429 B9R0.1 CN(C)CCNC(=O)CO dea4c98f6a4d3fbcbf88cdb0e163e84f [0,2,0,0,0,0|2,0,0]=4 2430 B9R0.1 CN(C)CNCC(=O)NO a3ade7df16dbcd771b06a73f3e12e552 [0,2,0,0,0,0|2,0,0]=4 2431 B9R0.1 CN(C=O)CCCC(=O)N 1039857edbd9480a91f0e32a53a7887d [0,2,0,0,0,0|2,0,0]=4 2432 B9R0.1 CN(CF)CCCC(=O)N 65f565f0e81325c053f50906964421e0 [0,2,0,0,0,0|2,0,0]=4 2433 B9R0.1 CN(CF)CCCC(=O)O ca2d2af989107fbb2003dee075ad73ef [0,2,0,0,0,0|1,0,0]=3 2434 B9R0.1 CN(CO)CCCC(=O)N fec24e82a12ce5647c3e02571de30e68 [0,2,0,0,0,0|2,0,0]=4 2435 B9R0.1 CN(CO)CCCC(=O)O 15d2d5e0a3745bcbc8af1be8c111eca1 [0,2,0,0,0,0|1,0,0]=3 2436 B9R0.1 CNC(=O)CCNC(C)C 855f87f986c161aee85af79de8272fed [0,2,0,0,0,0|2,0,0]=4 2437 B9R0.1 CNC(=O)CCOC(C)C 6a47444c5a2c07745f4f7dfd64d3b1d6 [0,2,0,0,0,0|2,0,0]=4 2438 B9R0.1 CNC(=O)CNCC(=O)O 85a5f672fadbc6f9ef6de9a2a956af16 [0,2,0,0,0,0|1,0,1]=4 2439 B9R0.1 CNC(=O)CNCC(C)C 3221640b219bd78ec2bb8c18ad769fcf [0,2,0,0,0,0|2,0,0]=4 2440 B9R0.1 CNC(=O)CNCC(C)O a28ef65677ab53cd6c02da4523df1161 [0,2,0,0,0,0|2,0,0]=4 2441 B9R0.1 CNC(=O)CNC[C@@H](C)O efcf8ffc667f53fed279c5d7a3af9870 [0,2,0,0,0,0|2,0,0]=4 2442 B9R0.1 CNC(=O)CNC[C@H](C)O 0c060a0a690e256b06eead82b2ad4d1e [0,2,0,0,0,0|2,0,0]=4 2443 B9R0.1 CNC(=O)COCC(=O)O 006fa27b5ff6a2a3b9b7bdadb3a8cf78 [0,2,0,0,0,0|1,0,1]=4 2444 B9R0.1 CNC(=O)COCC(C)C 40c9e5555ca7067c1b75a79085d9227e [0,2,0,0,0,0|2,0,0]=4 2445 B9R0.1 CNC(=O)COCC(C)F fa52b6f3d1a0e8b904c6593f91cbafd7 [0,2,0,0,0,0|2,0,0]=4 2446 B9R0.1 CNC(=O)COCC(C)S 9a15f8cb95cc309974f4cd3bd405210f [0,2,0,0,0,0|2,0,0]=4 2447 B9R0.1 CNC(=O)COC[C@@H](C)F 5731cf667a988e44e01f3764bf2440c0 [0,2,0,0,0,0|2,0,0]=4 2448 B9R0.1 CNC(=O)COC[C@H](C)F 6084954275979d4120883ba62d3df961 [0,2,0,0,0,0|2,0,0]=4 2449 B9R0.1 COC(=O)CCNC(=O)C e469e5b7d171861926dc52d0d008b43a [0,2,0,0,0,0|1,0,1]=4 2450 B9R0.1 COC(=O)CCNC(C)C cca84c56a4f78d735d44ac567d8c7043 [0,2,0,0,0,0|1,0,0]=3 2451 B9R0.1 COC(=O)CCOC(C)C 60b3b0e4ed197bd9b785527450b784a6 [0,2,0,0,0,0|1,0,0]=3 2452 B9R0.1 COC(=O)CNCC(=O)C 2ffbe56641f2b1b2f85d79518ab23ece [0,2,0,0,0,0|1,0,1]=4 2453 B9R0.1 COC(=O)CNCC(=O)O d413351b1bd64263dc30d4f78e9bad17 [0,2,0,0,0,0|1,0,1]=4 2454 B9R0.1 COC(=O)CNCC(C)C f4529cfb679f9748b0c64270201236cc [0,2,0,0,0,0|1,0,0]=3 2455 B9R0.1 COC(=O)CNCC(C)O 59a9a5fa9940991101df2294ecedabe2 [0,2,0,0,0,0|1,0,0]=3 2456 B9R0.1 COC(=O)CNCC(F)F 99a11b46419d1919f76e3d3e6287302f [0,2,0,0,0,0|2,0,0]=4 2457 B9R0.1 COC(=O)CNCN(C)C 0a2496fcd2e1da81aae705ca0c36b384 [0,2,0,0,0,0|2,0,0]=4 2458 B9R0.1 COC(=O)CNC[C@@H](C)O c0520f27f33031c361272483aa523927 [0,2,0,0,0,0|1,0,0]=3 2459 B9R0.1 COC(=O)CNC[C@H](C)O 0c585f1f65c56fea600dec50df736a15 [0,2,0,0,0,0|1,0,0]=3 2460 B9R0.1 COC(=O)COCC(=O)C c6badf6770087930f6d233ff5221dfc5 [0,2,0,0,0,0|1,0,1]=4 2461 B9R0.1 COC(=O)COCC(=O)O ffa9d3a5a545c2957a369e509906e94d [0,2,0,0,0,0|1,0,1]=4 2462 B9R0.1 COC(=O)COCC(C)C 4b1318611fb3f76585445eae1c414e70 [0,2,0,0,0,0|1,0,0]=3 2463 B9R0.1 COC(=O)COCC(C)F ded48f7273675c40dff9df77741fd995 [0,2,0,0,0,0|1,0,0]=3 2464 B9R0.1 COC(=O)COCC(C)S 972eb2e1b84baea6663e77547a586ced [0,2,0,0,0,0|1,0,0]=3 2465 B9R0.1 COC(=O)COCC(F)F 5967460eac62631fab3c633dca5b4a80 [0,2,0,0,0,0|2,0,0]=4 2466 B9R0.1 COC(=O)COCN(C)C 68a7b0498b06764e3116c56a23a606fe [0,2,0,0,0,0|2,0,0]=4 2467 B9R0.1 COC(=O)COC[C@@H](C)F 2c354a5e8fdd5505f4e964176d19fdb9 [0,2,0,0,0,0|1,0,0]=3 2468 B9R0.1 COC(=O)COC[C@H](C)F 6ebc6b533639ba961e85b641e67b20d7 [0,2,0,0,0,0|1,0,0]=3 2469 B9R0.1 COC(=O)OCOC(C)C 251eb519e02d8d49a94916f622d830be [0,2,0,0,0,0|2,0,0]=4 2470 B9R0.1 COC(C)CNCC(=O)C a496551dd3631b02d91d02c1cf1f9a01 [0,2,0,0,0,0|2,0,0]=4 2471 B9R0.1 COC(C)CNCC(=O)N c406d754cedf46f953aabf5f2b6c5f83 [0,2,0,0,0,0|2,0,0]=4 2472 B9R0.1 COC(C)CNCC(=O)O dbf8e5faee7152132e5d4bb3bd4e4843 [0,2,0,0,0,0|1,0,0]=3 2473 B9R0.1 COC(C)COCC(=O)C 3142f37743266362b2effa0bced7ba98 [0,2,0,0,0,0|2,0,0]=4 2474 B9R0.1 COC(C)COCC(=O)N 043fe304acc48d7988a07ed3f995965a [0,2,0,0,0,0|2,0,0]=4 2475 B9R0.1 COC(C)COCC(=O)O 80e727ea49a776af207e2b913ddb7306 [0,2,0,0,0,0|1,0,0]=3 2476 B9R0.1 COC(C)COCS(=O)O 5e5ef287229ea40bbf39a36b32c895f6 [0,2,0,0,0,0|2,0,0]=4 2477 B9R0.1 CO[C@@H](C)CNCC(=O)C 7198624c11de30df71b09e1e81cad62d [0,2,0,0,0,0|2,0,0]=4 2478 B9R0.1 CO[C@@H](C)CNCC(=O)N e607cb12070ca1a41a2d7ac47b7100ff [0,2,0,0,0,0|2,0,0]=4 2479 B9R0.1 CO[C@@H](C)CNCC(=O)O 65dd78747dc8a0d82266cff86cc9f8ee [0,2,0,0,0,0|1,0,0]=3 2480 B9R0.1 CO[C@@H](C)COCC(=O)C 8fa47a19787c56e3041f0099c3b9f382 [0,2,0,0,0,0|2,0,0]=4 2481 B9R0.1 CO[C@@H](C)COCC(=O)N 606070aa116c4601f0bb391f8a9522c6 [0,2,0,0,0,0|2,0,0]=4 2482 B9R0.1 CO[C@@H](C)COCC(=O)O a1f6e6081969a90d511bdcf1d36c7fb3 [0,2,0,0,0,0|1,0,0]=3 2483 B9R0.1 CO[C@@H](C)COCS(=O)O 9ca31fa9648066bf445522028cd02f8a [0,2,0,0,0,0|2,0,0]=4 2484 B9R0.1 CO[C@H](C)CNCC(=O)C 8d7b3f7b6bbe18398470ba66d5033f7d [0,2,0,0,0,0|2,0,0]=4 2485 B9R0.1 CO[C@H](C)CNCC(=O)N 6f53ca4bf47d6016b38536d82bb3bea6 [0,2,0,0,0,0|2,0,0]=4 2486 B9R0.1 CO[C@H](C)CNCC(=O)O 84e5827c180a6cfe438de358774cfb15 [0,2,0,0,0,0|1,0,0]=3 2487 B9R0.1 CO[C@H](C)COCC(=O)C 925cd39e23e3c2b6a4f7853c64166350 [0,2,0,0,0,0|2,0,0]=4 2488 B9R0.1 CO[C@H](C)COCC(=O)N ca233f244286a0b7232c14b3d8ba2757 [0,2,0,0,0,0|2,0,0]=4 2489 B9R0.1 CO[C@H](C)COCC(=O)O 1bc7d85404b0152996a2e6730e1ced0b [0,2,0,0,0,0|1,0,0]=3 2490 B9R0.1 CO[C@H](C)COCS(=O)O 19475c8640a8c02734eb8ca4e49bb7ed [0,2,0,0,0,0|2,0,0]=4 2491 B9R0.1 CS(=O)CCNC(=O)CO c0a16e6dcacf7f42146bfd165cf68c28 [0,2,0,0,0,0|2,0,0]=4 2492 B9R0.1 C[C@@H](CO)CNCC(=O)N 95d4f46f098a8874b30eaaa2710258a6 [0,2,0,0,0,0|2,0,0]=4 2493 B9R0.1 C[C@@H](CO)CNCC(=O)O f57e9d31ced751b25fdd665565e647c4 [0,2,0,0,0,0|1,0,0]=3 2494 B9R0.1 C[C@@H](CO)NCCC(=O)N 81eea7dbe7f903d97595b667a60b47f9 [0,2,0,0,0,0|2,0,0]=4 2495 B9R0.1 C[C@@H](CO)NCCC(=O)O b5ac644d36a232bdd1950d74e0718263 [0,2,0,0,0,0|1,0,0]=3 2496 B9R0.1 C[C@@H](CO)NCCS(=O)O 1e1fd01bdcf7dd1461208ea5f8e01cea [0,2,0,0,0,0|2,0,0]=4 2497 B9R0.1 C[C@@H](O)CCNC(=O)C=O 39832c64815f6d3c92ea5a825a51a324 [0,2,0,0,0,0|1,0,1]=4 2498 B9R0.1 C[C@@H](O)CCNC(=O)CF 9cc194dd6bae57ed21d1c6a3807cb763 [0,2,0,0,0,0|2,0,0]=4 2499 B9R0.1 C[C@@H](O)CCNC(=O)CO 0f403648615901397e48f6d9f0579495 [0,2,0,0,0,0|1,0,0]=3 2500 B9R0.1 C[C@@H](O)CCNC(=O)CS 5041dae96f818c0eb7fcd213a28aa8a7 [0,2,0,0,0,0|1,1,0]=4 2501 B9R0.1 C[C@@H](O)CNCC(=O)CO c4b1bfbab60225c4c1c90acf845e538d [0,2,0,0,0,0|1,0,0]=3 2502 B9R0.1 C[C@@H](O)CNCC(=O)NO 46b237d24ec9cc50d6b1a995633af109 [0,2,0,0,0,0|1,0,0]=3 2503 B9R0.1 C[C@H](C=O)NCCC(=O)N 57a3c92d9100fb4c15bb11d07cab3b3b [0,2,0,0,0,0|2,0,0]=4 2504 B9R0.1 C[C@H](C=O)NCCC(=O)O 568b307ebcb4ab5b4df113dd91c9a6dc [0,2,0,0,0,0|1,0,0]=3 2505 B9R0.1 C[C@H](C=O)NCCS(=O)O 16c57c2a89c360c6e6357bad716217cd [0,2,0,0,0,0|2,0,0]=4 2506 B9R0.1 C[C@H](C=O)OCCC(=O)N 6c390f4a6745397018a94d322ce456f3 [0,2,0,0,0,0|2,0,0]=4 2507 B9R0.1 C[C@H](C=O)OCCC(=O)O 6123759046df411af3794a1ca6644131 [0,2,0,0,0,0|1,0,0]=3 2508 B9R0.1 C[C@H](CO)CNCC(=O)N 54d59c4b8d1eedf9603fa590919322a3 [0,2,0,0,0,0|2,0,0]=4 2509 B9R0.1 C[C@H](CO)CNCC(=O)O ce3fe074090d41b3d881458baf420cde [0,2,0,0,0,0|1,0,0]=3 2510 B9R0.1 C[C@H](CO)NCCC(=O)N 9104073cf14f07aa3bfbe209e7cf4529 [0,2,0,0,0,0|2,0,0]=4 2511 B9R0.1 C[C@H](CO)NCCC(=O)O a31ff9e016b023eff4f0af52b348f8ec [0,2,0,0,0,0|1,0,0]=3 2512 B9R0.1 C[C@H](CO)NCCS(=O)O bc5457376529f9b425df01e6c2085a40 [0,2,0,0,0,0|2,0,0]=4 2513 B9R0.1 C[C@H](CS)OCCC(=O)N b70342dff22e2acfef39f97500e9adb6 [0,2,0,0,0,0|2,0,0]=4 2514 B9R0.1 C[C@H](O)CCNC(=O)C=O 3260c79bc167bb2c467ba0f7ea799ebb [0,2,0,0,0,0|1,0,1]=4 2515 B9R0.1 C[C@H](O)CCNC(=O)CF dccbd1b5eb2b603c877a00069e3b10a6 [0,2,0,0,0,0|2,0,0]=4 2516 B9R0.1 C[C@H](O)CCNC(=O)CO c73ce75cfe06fe5a627e4cd5009891c1 [0,2,0,0,0,0|1,0,0]=3 2517 B9R0.1 C[C@H](O)CCNC(=O)CS c3c8ad3bd970fc3ad723d2f4eede6a9b [0,2,0,0,0,0|1,1,0]=4 2518 B9R0.1 C[C@H](O)CNCC(=O)CO fdb7bd0552475296e5cbc57855b89671 [0,2,0,0,0,0|1,0,0]=3 2519 B9R0.1 C[C@H](O)CNCC(=O)NO c352129f10875414666752fe0d29f814 [0,2,0,0,0,0|1,0,0]=3 2520 B9R0.1 NC(=O)CNCC(Br)CBr 72f16a9d118816c5c965d7f812c6d81f [0,2,0,0,0,0|2,0,0]=4 2521 B9R0.1 NC(=O)CNCC(F)CO 57d703cf810e24eae7a888b046d6fec6 [0,2,0,0,0,0|2,0,0]=4 2522 B9R0.1 NC(=O)CNCC(O)CF 1338ba6fc5ebaf27ea5f9f606ff49f58 [0,2,0,0,0,0|2,0,0]=4 2523 B9R0.1 NC(=O)CNCC(O)CO fe4a86fd151743dd0b9ded1e0af5af8f [0,2,0,0,0,0|2,0,0]=4 2524 B9R0.1 NC(=O)CNC[C@@H](F)CO ec17e4a873171e0e831e9372020ba1a6 [0,2,0,0,0,0|2,0,0]=4 2525 B9R0.1 NC(=O)CNC[C@@H](O)CO 4fa84f02313a101ba566c64233f5bb99 [0,2,0,0,0,0|2,0,0]=4 2526 B9R0.1 NC(=O)CNC[C@H](F)CO a7c05a924b239326a1922acfb088d2f3 [0,2,0,0,0,0|2,0,0]=4 2527 B9R0.1 NC(=O)CNC[C@H](O)CO 036c84b825350672b7fa7729cd0fb014 [0,2,0,0,0,0|2,0,0]=4 2528 B9R0.1 NC(=O)COCC(Br)CBr c1281a01e16429d77845b2e0267540b5 [0,2,0,0,0,0|2,0,0]=4 2529 B9R0.1 NC(=O)COCC(Cl)CCl bf3648529fbc2a76421155d5326404ff [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.1 NC(=O)COCC(O)CO e5d7c23e48aadaa516f0566aca250137 [0,2,0,0,0,0|2,0,0]=4 2531 B9R0.1 NC(=O)COCC(S)CS 77cb67c757a8cbe9c08d0589d0c32bb1 [0,2,0,0,0,0|2,0,0]=4 2532 B9R0.1 NC(=O)COC[C@@H](O)CO 09b51a3e6eabb9bb44b99d8e29a364c3 [0,2,0,0,0,0|2,0,0]=4 2533 B9R0.1 NC(=O)COC[C@H](O)CO 987eb7b52c756f8fdc68c5d9ed3f5e23 [0,2,0,0,0,0|2,0,0]=4 2534 B9R0.1 O=C(CNCC(F)F)NO 53e336ce9f495969a6827739f3043169 [0,2,0,0,0,0|2,0,0]=4 2535 B9R0.1 O=C(CO)CNCC(F)F 3055651892d668ffaeabb74c3c47ff6e [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.1 O=C(CO)NCCC(F)F 232f6b3b2fecf6f4056a1a8d1eebeb88 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.1 O=C(O)CNCC(=O)CO 67ffc001715ccd674ca2190fd74d727d [0,2,0,0,0,0|1,0,1]=4 2538 B9R0.1 O=C(O)CNCC(Br)CBr ef99ec62c4dafd35d1f7c73687c4dec8 [0,2,0,0,0,0|1,0,0]=3 2539 B9R0.1 O=C(O)CNCC(F)CO 85480065cb6f22ce4951c43a5529025b [0,2,0,0,0,0|1,0,0]=3 2540 B9R0.1 O=C(O)CNCC(O)CF 7fd10536ea2bd1a0c281f0149c46efaf [0,2,0,0,0,0|1,0,0]=3 2541 B9R0.1 O=C(O)CNCC(O)CO 5f4a685d53a0215015208fab45cb0871 [0,2,0,0,0,0|1,0,0]=3 2542 B9R0.1 O=C(O)CNC[C@@H](F)CO b256d92caab1484241eb0944f0d426c8 [0,2,0,0,0,0|1,0,0]=3 2543 B9R0.1 O=C(O)CNC[C@@H](O)CO 2e94e974e33de52da795c25edb2b7b46 [0,2,0,0,0,0|1,0,0]=3 2544 B9R0.1 O=C(O)CNC[C@H](F)CO 88b9d73cd1b06b779c0e456bbf2e093b [0,2,0,0,0,0|1,0,0]=3 2545 B9R0.1 O=C(O)CNC[C@H](O)CO 54e6a925352e55eb05de7ec2030c642a [0,2,0,0,0,0|1,0,0]=3 2546 B9R0.1 O=C(O)COCC(Br)CBr c9888022ccc9e04c0d413c09e25a4398 [0,2,0,0,0,0|1,0,0]=3 2547 B9R0.1 O=C(O)COCC(Cl)CCl 994d616ba6176a710bbd4f21d078567d [0,2,0,0,0,0|1,0,0]=3 2548 B9R0.1 O=C(O)COCC(O)CO 250d3f6a92b33993adc8c4afdc32ab2a [0,2,0,0,0,0|1,0,0]=3 2549 B9R0.1 O=C(O)COCC(S)CS b6b6009a9d63c8f64670de6b0713a6af [0,2,0,0,0,0|1,0,0]=3 2550 B9R0.1 O=C(O)COC[C@@H](O)CO 60e0a11559d7478c0b36eb2f406dfa86 [0,2,0,0,0,0|1,0,0]=3 2551 B9R0.1 O=C(O)COC[C@H](O)CO 846143e05728715a8a55aff47672ac25 [0,2,0,0,0,0|1,0,0]=3 2552 B9R0.1 O=S(O)COCC(O)CO f199cb63a274dd3500fbaab27c6a66d0 [0,2,0,0,0,0|2,0,0]=4 2553 B9R0.1 O=S(O)COC[C@@H](O)CO c26418599d510bde6813fa33eb165dca [0,2,0,0,0,0|2,0,0]=4 2554 B9R0.1 O=S(O)COC[C@H](O)CO 6f5a4c9cf6b2dc3e46db763efb23bd39 [0,2,0,0,0,0|2,0,0]=4 2555 B9R0.5 C#CCC(=O)NCCCC ba93a74075d3af473d0ae40cb1c8a7e9 [0,2,0,0,0,0|2,0,0]=4 2556 B9R0.5 C/C=C/C(=O)NCCCC 44c051192513db47c1c826c71178c208 [0,2,0,0,0,0|2,0,0]=4 2557 B9R0.5 C=CCC(=O)NCCCC aa4e9cc01c944a911bc93657ec8591fa [0,2,0,0,0,0|2,0,0]=4 2558 B9R0.5 C=COC(=O)CNCCBr 5c8c7ab9e3793e247c6b7c0dc0c3d3ad [0,2,0,0,0,0|2,0,0]=4 2559 B9R0.5 C=COC(=O)CNCCC 3fcb2e78c6d37ddb589d8fb06a6c54d6 [0,2,0,0,0,0|1,0,0]=3 2560 B9R0.5 C=COC(=O)CNCCF 1864711886ed107d41f9f069f3a52f24 [0,2,0,0,0,0|2,0,0]=4 2561 B9R0.5 C=COC(=O)CNCCI b70610246e923c08e363f9d8d6a22a9d [0,2,0,0,0,0|2,0,0]=4 2562 B9R0.5 C=COC(=O)CNCCO a1eec180984048515bfe2768f3d6b9e0 [0,2,0,0,0,0|2,0,0]=4 2563 B9R0.5 C=COC(=O)CNCCS a7811feac419e0739763434f7b7270f6 [0,2,0,0,0,0|2,0,0]=4 2564 B9R0.5 C=COC(=O)COCCC 5f1ff34a229b00591eee62972bb38422 [0,2,0,0,0,0|1,0,0]=3 2565 B9R0.5 C=COC(=O)COCCF ede556e34bfc8eb6c6d6f69b0b611e07 [0,2,0,0,0,0|2,0,0]=4 2566 B9R0.5 C=COC(=O)COCCS 67cab09cb8f1036cca6d2ef62c8fe19c [0,2,0,0,0,0|2,0,0]=4 2567 B9R0.5 C=COC(=O)COCOC 24ce59484e68b6ebaae58f61a71407ff [0,2,0,0,0,0|2,0,0]=4 2568 B9R0.5 CC#CC(=O)NCCCC 41434018c71b7cd84c9c1094b4f5059d [0,2,0,0,0,0|2,0,0]=4 2569 B9R0.5 CCCCCC(=O)NC#N 608ac8706cb8f7927089caf9f4c8964c [0,2,0,0,0,0|1,0,0]=3 2570 B9R0.5 CCCCCC(C)NC=O 8ebcf0f9aaad2891aad2d805d5730b90 [0,2,0,0,0,0|1,0,1]=4 2571 B9R0.5 CCCCCC(C)NCO 79997f757bd22c3676dd0e07aa87d23c [0,2,0,0,0,0|1,0,1]=4 2572 B9R0.5 CCCCCC(C)OCC 730550df732f69eef1e6a549de510b2c [0,2,0,0,0,0|1,0,1]=4 2573 B9R0.5 CCCCCC(C)OCF 91cb6ddeef5e8a675eb7cdefedcad036 [0,2,0,0,0,0|1,0,1]=4 2574 B9R0.5 CCCCCN(C)CC=O 78bb5a09a7732691e4b2ef4ef4683cdd [0,2,0,0,0,0|2,0,0]=4 2575 B9R0.5 CCCCCN(C)CCO 34410e1ec8513358afcc09dffe161858 [0,2,0,0,0,0|2,0,0]=4 2576 B9R0.5 CCCCCN(C)COC 962ac7aa69c9adf59a4c23134026ede4 [0,2,0,0,0,0|2,0,0]=4 2577 B9R0.5 CCCCC[C@@H](C)OCC 8f2bb2e64349b01f8c7137850e01df92 [0,2,0,0,0,0|1,0,1]=4 2578 B9R0.5 CCCCC[C@@H](C)OCF dddbd16c736b0cf2a41037d9959ad3e8 [0,2,0,0,0,0|1,0,1]=4 2579 B9R0.5 CCCCC[C@H](C)NC=O e9ec5cd528aff38be097392db8efa5ac [0,2,0,0,0,0|1,0,1]=4 2580 B9R0.5 CCCCC[C@H](C)NCO dadd1abcf3546c9c0b9e976ac187033b [0,2,0,0,0,0|1,0,1]=4 2581 B9R0.5 CCCCC[C@H](C)OCC 2cf9a829d5eb89110544892bd459dee4 [0,2,0,0,0,0|1,0,1]=4 2582 B9R0.5 CCCCC[C@H](C)OCF 127043f0fb9c13be21bff612ac563c1b [0,2,0,0,0,0|1,0,1]=4 2583 B9R0.5 CCCCNC(=O)/C=C/Br 0dbf6af00ee33ccc94775c9b10e14f2d [0,2,0,0,0,0|2,0,0]=4 2584 B9R0.5 CCCCNC(=O)/C=C/Cl fb70afe77876110b5a0d3d6f58130074 [0,2,0,0,0,0|2,0,0]=4 2585 B9R0.5 CCCCNC(=O)/C=C/I 08fac6c7b0e84b5c53498e160a252913 [0,2,0,0,0,0|2,0,0]=4 2586 B9R0.5 CCCCNC(=O)/C=C\Br 110d3567aadc8708039726a6bf79929a [0,2,0,0,0,0|2,0,0]=4 2587 B9R0.5 CCCCNC(=O)/C=C\Cl 64b3a61ed02d229a647bad55a8000a4d [0,2,0,0,0,0|2,0,0]=4 2588 B9R0.5 CCCCNC(=O)/C=C\I dae7cd6cc453b79a863443f276a900b7 [0,2,0,0,0,0|2,0,0]=4 2589 B9R0.5 CCCCNC(=O)C#CBr 3eefe890be00b806102579b989752b89 [0,2,0,0,0,0|2,0,0]=4 2590 B9R0.5 CCCCNC(=O)C=CBr 8793bc76d4d65e4bf0ad7dc4bd382289 [0,2,0,0,0,0|2,0,0]=4 2591 B9R0.5 CCCCNC(=O)C=CI bfc7d529d3d35a1a9f3c76e20f482d83 [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.5 CCCCNC(=O)CC#N 053d3ec5d1d045be31522ff85b2cf2ec [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.5 CCCCNC(=O)CC=O 836473a80945117a02207b121e995b64 [0,2,0,0,0,0|1,0,1]=4 2594 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [0,2,0,0,0,0|2,0,0]=4 2595 B9R0.5 CCCCNC(=O)CCF 53b9813d116057ff8c4b15658e94e51c [0,2,0,0,0,0|2,0,0]=4 2596 B9R0.5 CCCCNC(=O)CCO 0298cd2468e4d9499261be651df2adcd [0,2,0,0,0,0|1,0,0]=3 2597 B9R0.5 CCCCNC(=O)CCS 1641ac5db70e3fc675ef1771e3defee2 [0,2,0,0,0,0|1,1,0]=4 2598 B9R0.5 CCCCNC(=O)COC 36ff378b0254a17f19e8bd23cda67723 [0,2,0,0,0,0|1,0,0]=3 2599 B9R0.5 CCCCNC(=O)CON ff8aaf07597bc421ccecffa926ce5e77 [0,2,0,0,0,0|1,0,0]=3 2600 B9R0.5 CCCCNC(=O)CSC fd9e07d4285a6169aceb5bd025ecd890 [0,2,0,0,0,0|1,1,0]=4 2601 B9R0.5 CCCCNC(=O)NC#N d445f658e640f58ae292600748b16d07 [0,2,0,0,0,0|2,0,0]=4 2602 B9R0.5 CCCNCC(=O)CCC 3eec0edc7aa18c3c159d3b72b32db52a [0,2,0,0,0,0|2,0,0]=4 2603 B9R0.5 CCCNCC(=O)COC 9c76efdc9995e8503c8a81dc87078b10 [0,2,0,0,0,0|1,0,0]=3 2604 B9R0.5 CCCNCC(=O)NCC ce07571aa3fa6f7b572f45c714e29f13 [0,2,0,0,0,0|2,0,0]=4 2605 B9R0.5 CCCNCC(=O)NCO 0eb1e391e229900686c61210a46d0652 [0,2,0,0,0,0|1,0,0]=3 2606 B9R0.5 CCCNCC(=O)OCC 96e18210e8c47913fa01fa11b9b136be [0,2,0,0,0,0|1,0,0]=3 2607 B9R0.5 CCCOCC(=O)CCC 74c3c5e5bd02e359466cf1cc878b65e0 [0,2,0,0,0,0|2,0,0]=4 2608 B9R0.5 CCCOCC(=O)COC 3d7dfb506e9c0757447f18e9df05797b [0,2,0,0,0,0|1,0,0]=3 2609 B9R0.5 CCCOCC(=O)NC#N f9d05328110019f4072f7170f6d394a9 [0,2,0,0,0,0|2,0,0]=4 2610 B9R0.5 CCCOCC(=O)NCC 76f4c6de17f53497034323fd5e6ef599 [0,2,0,0,0,0|2,0,0]=4 2611 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [0,2,0,0,0,0|1,0,0]=3 2612 B9R0.5 CCCSCC(=O)NC#N e4406987472062efb0b81eae1b839675 [0,2,0,0,0,0|2,0,0]=4 2613 B9R0.5 CCNCCC(=O)OCC 2335a4402c7edabd02b888af3e7ee79f [0,2,0,0,0,0|1,0,0]=3 2614 B9R0.5 CCOC(=O)CCNCF dc0e8e938f3e0f9376067101916fab11 [0,2,0,0,0,0|2,0,0]=4 2615 B9R0.5 CCOC(=O)CCNCO 0d43318aba0286304d28e6f5f875b75e [0,2,0,0,0,0|2,0,0]=4 2616 B9R0.5 CCOC(=O)CCOCF b923097280e6d745523067d0f7821723 [0,2,0,0,0,0|2,0,0]=4 2617 B9R0.5 CCOC(=O)CNCCBr 2d8ed3ea34766b7d343241f665b80229 [0,2,0,0,0,0|2,0,0]=4 2618 B9R0.5 CCOC(=O)CNCCF 99d39e110ac23618c63f1317b2282cce [0,2,0,0,0,0|2,0,0]=4 2619 B9R0.5 CCOC(=O)CNCCI 75072515d706cd5c15a349fb418110fa [0,2,0,0,0,0|2,0,0]=4 2620 B9R0.5 CCOC(=O)CNCCO a3891831c63b1d5fc3c5a1b6e875e04a [0,2,0,0,0,0|2,0,0]=4 2621 B9R0.5 CCOC(=O)CNCCS 2d2d40dfd5cc8614b9490097a11bc9af [0,2,0,0,0,0|2,0,0]=4 2622 B9R0.5 CCOC(=O)CNCOC 3338587ded14e7c228302d0aec1db622 [0,2,0,0,0,0|2,0,0]=4 2623 B9R0.5 CCOC(=O)CNCSC 83cee1aea68795d140c24e1cd1c34d73 [0,2,0,0,0,0|2,0,0]=4 2624 B9R0.5 CCOC(=O)COCCF 8ab9a071055414651ab59279d1d89a94 [0,2,0,0,0,0|2,0,0]=4 2625 B9R0.5 CCOC(=O)COCCS 5b2c52a4049396ac0e633dc62c60b2f2 [0,2,0,0,0,0|2,0,0]=4 2626 B9R0.5 CCOC(=O)COCOC cae80a72de3b9dd4c77bad68b601ad39 [0,2,0,0,0,0|2,0,0]=4 2627 B9R0.5 CCOC(=O)COCSC d1c9bb1a8c14847f19476af8bd4e260f [0,2,0,0,0,0|2,0,0]=4 2628 B9R0.5 CCOCCC(=O)NC#N 6b23dd2c785a8c4581fd533000163a32 [0,2,0,0,0,0|2,0,0]=4 2629 B9R0.5 CCOCCC(=O)OCC 09e1caf8e51242de5bdcbf4174bb2e9c [0,2,0,0,0,0|1,0,0]=3 2630 B9R0.5 CCSCCC(=O)NC#N 7e230a024776180aa692714162a233fe [0,2,0,0,0,0|2,0,0]=4 2631 B9R0.5 COCC(=O)CNCCI de001d33d2a83ecbcdbf60168bdb71b4 [0,2,0,0,0,0|2,0,0]=4 2632 B9R0.5 COCC(=O)CNCCO 2826556ba2b391e97043cba9d2c76ebb [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.5 COCC(=O)CNCCS 998c86e7067a208995617aaf569ee24d [0,2,0,0,0,0|2,0,0]=4 2634 B9R0.5 COCC(=O)COCCS 4c50ce8dad8eb47119f9c3bca158fc1a [0,2,0,0,0,0|2,0,0]=4 2635 B9R0.5 COCC(=O)NCCCCl 9b8e00a91bd11b43b2cced22d7f8490f [0,2,0,0,0,0|2,0,0]=4 2636 B9R0.5 COCC(=O)NCCCO 8066d497a25e88f2387cdf27e9376a33 [0,2,0,0,0,0|2,0,0]=4 2637 B9R0.5 COCC(=O)NCCSC ae9802b73da9588e64754d62c956dbe2 [0,2,0,0,0,0|2,0,0]=4 2638 B9R0.5 COCCCC(=O)NC#N 4f7e21515e1951d2c5f437464275b88d [0,2,0,0,0,0|2,0,0]=4 2639 B9R0.5 COCCNC(=O)CCO da506b7eb06569e31b2bdbe6c4e1e62a [0,2,0,0,0,0|2,0,0]=4 2640 B9R0.5 COCCNC(=O)COC b53dbf929afbe9b06300c313013c1089 [0,2,0,0,0,0|2,0,0]=4 2641 B9R0.5 COCCNC(=O)CON e64f36108eff0def1c33c6738bec620e [0,2,0,0,0,0|2,0,0]=4 2642 B9R0.5 COCOCC(=O)COC 7449521e3687d4ca34f0ee79710cdd82 [0,2,0,0,0,0|2,0,0]=4 2643 B9R0.5 CSCCCC(=O)NC#N 809bb9216624e85d23b4ec47938a3aba [0,2,0,0,0,0|2,0,0]=4 2644 B9R0.5 CSCCNC(=O)CCO 43f57de6b29a2d1d41363767bdf0c9f1 [0,2,0,0,0,0|2,0,0]=4 2645 B9R0.5 CSCCNC(=O)CON fe5786406220ccbcd54bd35905f73b29 [0,2,0,0,0,0|2,0,0]=4 2646 B9R0.5 N#CNC(=O)CCCCF ace8e80e8324c85ff771b505e2ab04a9 [0,2,0,0,0,0|2,0,0]=4 2647 B9R0.5 N#CNC(=O)CCCCO 37111c2c43f9cdec6bf59ef45e8c2f04 [0,2,0,0,0,0|2,0,0]=4 2648 B9R0.5 N#CNC(=O)CCCCS 30b341b20ba8b9de48210c99ee02e378 [0,2,0,0,0,0|2,0,0]=4 2649 B9R0.5 NOCC(=O)NCCCCl 534011695b8fa71c354e1d9e9bb75b65 [0,2,0,0,0,0|2,0,0]=4 2650 B9R0.5 NOCC(=O)NCCCO a92bfea9c5f926aa654e629afce28ec3 [0,2,0,0,0,0|2,0,0]=4 2651 B9R0.5 O=C(CCO)NCCCCl abeaa24b07e6d3bdfe3ff6d05860a8be [0,2,0,0,0,0|2,0,0]=4 2652 B9R0.5 O=C(CCO)NCCCO 2d4903d2493c9af6a68704182db4d55c [0,2,0,0,0,0|2,0,0]=4 2653 B9R0.5 O=C(CNCCBr)NCO 8a4ef0e940cd180edb41a03dd112cfb6 [0,2,0,0,0,0|2,0,0]=4 2654 B9R0.5 O=C(CNCCF)NCO 686f6c2258f206c3d0cc4f6e5b2bdd64 [0,2,0,0,0,0|2,0,0]=4 2655 B9R0.5 O=C(CNCCI)NCO d860f7f6a4cd71eaa2ec3210d2610844 [0,2,0,0,0,0|2,0,0]=4 2656 B9R0.5 O=C(CNCCO)NCO d770621adfcecfe087926cb2eca6ebfc [0,2,0,0,0,0|2,0,0]=4 2657 B9R0.5 O=C(CNCCS)NCO ef03bbcb74c5d1041da25250cdf53fa0 [0,2,0,0,0,0|2,0,0]=4 2658 B9R0.8 C#CC(=O)N(C)CCCC 982193d7698117672f4d7e3567180a56 [0,2,0,0,0,0|2,0,0]=4 2659 B9R0.8 C=C(COCC)C(=O)OC ae9c69942d2175975ce6919e23e76991 [0,2,0,0,0,0|1,0,1]=4 2660 B9R0.8 C=CC(=O)N(C)CCCC b6746789bae1db9fe64148b7a62e68a4 [0,2,0,0,0,0|2,0,0]=4 2661 B9R0.8 CCCCN(C)C(=O)C=O ed88baf3777d406fb62edc639f2ad7fc [0,2,0,0,0,0|1,0,1]=4 2662 B9R0.8 CCCCN(C)C(=O)CC 0e002209ec811d39c4d1fc3cb831356f [0,2,0,0,0,0|2,0,0]=4 2663 B9R0.8 CCCCN(C)C(=O)CF f74557b45a03626a8ff166c34b446fd4 [0,2,0,0,0,0|2,0,0]=4 2664 B9R0.8 CCCCN(C)C(=O)CO 4ba88839945a674ab9ac3fbe8c51fb1c [0,2,0,0,0,0|1,0,0]=3 2665 B9R0.8 CCCCN(C)C(=O)CS 062af0d1684fb716d13d17c60980012b [0,2,0,0,0,0|1,1,0]=4 2666 B9R0.8 CCCNC(=O)C(=O)OC 4b33c548ce70d1a847225c6eb880f588 [0,2,0,0,0,0|1,0,1]=4 2667 B9R0.8 CCCNC(C)C(=O)CC 0217f82457b5f9eb91d7c99d41f3f7e0 [0,2,0,0,0,0|2,0,0]=4 2668 B9R0.8 CCCNC(C)C(=O)NC 7e671fb821570ee51777de2cb4346876 [0,2,0,0,0,0|2,0,0]=4 2669 B9R0.8 CCCNC(C)C(=O)OC 31247040e57fcd82f8a5006ea35f44b3 [0,2,0,0,0,0|1,0,0]=3 2670 B9R0.8 CCCN[C@@H](C)C(=O)OC 59d491ac2868b6f8a0c3d1e8728d0ebe [0,2,0,0,0,0|1,0,0]=3 2671 B9R0.8 CCCN[C@H](C)C(=O)OC 341714f23671a6f279f2ba9d2fc394e9 [0,2,0,0,0,0|1,0,0]=3 2672 B9R0.8 CCCOC(C)C(=O)CC 8ed9139bb3e33585a0fa3a410f80c3d4 [0,2,0,0,0,0|2,0,0]=4 2673 B9R0.8 CCCOC(C)C(=O)NC 6c6db500b3d123e7885d4c8a3542da86 [0,2,0,0,0,0|2,0,0]=4 2674 B9R0.8 CCCOC(C)C(=O)OC 6aeb6cf87a11cad68a57c617fd4dd6b3 [0,2,0,0,0,0|1,0,0]=3 2675 B9R0.8 CCCO[C@@H](C)C(=O)OC 74882931e69b82142f87fd9cd5771d40 [0,2,0,0,0,0|1,0,0]=3 2676 B9R0.8 CCCO[C@H](C)C(=O)OC df7cac25b325230b3fd4729465a84aae [0,2,0,0,0,0|1,0,0]=3 2677 B9R0.8 CCNCC(C)C(=O)OC 23788628878427ebf06f8ab1848fc209 [0,2,0,0,0,0|1,0,0]=3 2678 B9R0.8 CCOCC(C)C(=O)OC 80236c9332b15389a08a7441e9591cd6 [0,2,0,0,0,0|1,0,0]=3 2679 B9R0.8 CCOCC(F)C(=O)OC 293289f16cf9b946a849bc2001cde08d [0,2,0,0,0,0|1,0,0]=3 2680 B9R0.8 CCOC[C@@H](C)C(=O)OC 906e0220267f0d94eef2fb7d2be7e97d [0,2,0,0,0,0|1,0,0]=3 2681 B9R0.8 CCOC[C@H](C)C(=O)OC d76376f8be763bf61f075f3cd3189478 [0,2,0,0,0,0|1,0,0]=3 2682 B9R0.8 CN(CCCO)C(=O)CO 5a4e94ffd18aedd02762a4d4101b67f7 [0,2,0,0,0,0|2,0,0]=4 2683 B9R0.8 COC(=O)C(C)CNCF cb798ae47354359e4aa3ce08e5780b21 [0,2,0,0,0,0|2,0,0]=4 2684 B9R0.8 COC(=O)C(C)CNCO 39ae0c3a7f42291995fad179d22a5a37 [0,2,0,0,0,0|2,0,0]=4 2685 B9R0.8 COC(=O)C(C)COCF 44c811abb8c01f8301de11413ac270b8 [0,2,0,0,0,0|2,0,0]=4 2686 B9R0.8 COC(=O)C(C)NCCBr 318217e792ebb1d973731bba243d49af [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.8 COC(=O)C(C)NCCF 71d141bda7d2e6224ae3a7dfa1cc21b5 [0,2,0,0,0,0|2,0,0]=4 2688 B9R0.8 COC(=O)C(C)NCCI 808cf0c74c9ef45588975ce10780d025 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.8 COC(=O)C(C)NCCO 3704bd53df6df337c4b06e83d714ea07 [0,2,0,0,0,0|2,0,0]=4 2690 B9R0.8 COC(=O)C(C)NCCS d967f38e4459ed498d224e4b3cdd61d6 [0,2,0,0,0,0|2,0,0]=4 2691 B9R0.8 COC(=O)C(C)OCCF 100059756fd900098c62556a2ae1ce35 [0,2,0,0,0,0|2,0,0]=4 2692 B9R0.8 COC(=O)C(C)OCCS e7025bf903a8d5f820d0296de478345d [0,2,0,0,0,0|2,0,0]=4 2693 B9R0.8 COC(=O)C(C)OCSC ebd918713d697a3d130a3e5b592f95ea [0,2,0,0,0,0|2,0,0]=4 2694 B9R0.8 COC(=O)C(F)COCF 2dc6959195a5fe8d4df94c060794b142 [0,2,0,0,0,0|2,0,0]=4 2695 B9R0.8 COC(=O)[C@@H](C)COCF 1a2bfc633e0045cecdf11723a1d5a8ff [0,2,0,0,0,0|2,0,0]=4 2696 B9R0.8 COC(=O)[C@@H](C)NCCBr a7727686203549a3c6c9f0e726c31918 [0,2,0,0,0,0|2,0,0]=4 2697 B9R0.8 COC(=O)[C@@H](C)NCCF 854f6045fdda5f63c114321a012dcb77 [0,2,0,0,0,0|2,0,0]=4 2698 B9R0.8 COC(=O)[C@@H](C)NCCI bff6d9e508b7c6d11972d1a2df59cf2b [0,2,0,0,0,0|2,0,0]=4 2699 B9R0.8 COC(=O)[C@@H](C)NCCO b68c9ce4d70e10c92b29d39f736b232c [0,2,0,0,0,0|2,0,0]=4 2700 B9R0.8 COC(=O)[C@@H](C)NCCS 16fd58839d6241df4620a33b0b32294f [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.8 COC(=O)[C@@H](C)OCCF d1c1991f25a8b884548cfd60d33876dd [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.8 COC(=O)[C@@H](C)OCCS 9ef70f4f282a66cce9dfb1e835575055 [0,2,0,0,0,0|2,0,0]=4 2703 B9R0.8 COC(=O)[C@@H](C)OCSC 28e79a44863d047cc528276a78c0c9cd [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.8 COC(=O)[C@H](C)COCF 2f05fad9d2d30bccec9db2790e196eb9 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.8 COC(=O)[C@H](C)NCCBr 931d0ff08d117885f89eb4b7587512d9 [0,2,0,0,0,0|2,0,0]=4 2706 B9R0.8 COC(=O)[C@H](C)NCCF 74e88c5906e78f07303f636bab0e6889 [0,2,0,0,0,0|2,0,0]=4 2707 B9R0.8 COC(=O)[C@H](C)NCCI 8a19482f865475e7e3188051cf1bf197 [0,2,0,0,0,0|2,0,0]=4 2708 B9R0.8 COC(=O)[C@H](C)NCCO cdd55a005482a8e8a4c2e356ff4de70b [0,2,0,0,0,0|2,0,0]=4 2709 B9R0.8 COC(=O)[C@H](C)NCCS 908f3e3fb039ce6a81955ab5f0462302 [0,2,0,0,0,0|2,0,0]=4 2710 B9R0.8 COC(=O)[C@H](C)OCCF 29fbfe09a06b54c89987b94c571cc4e4 [0,2,0,0,0,0|2,0,0]=4 2711 B9R0.8 COC(=O)[C@H](C)OCCS cacca195083b683b3e20b6ded7274a88 [0,2,0,0,0,0|2,0,0]=4 2712 B9R0.8 COC(=O)[C@H](C)OCSC 18a62ed2db31e4b687bb63a6d3283424 [0,2,0,0,0,0|2,0,0]=4 2713 B9R0.8 COCCN(C)C(=O)CO b05ec1e125c3dab3c2c7c0e1019757c0 [0,2,0,0,0,0|2,0,0]=4 2714 B9R0.8 COCOC(C)C(=O)OC 9848f05d221db1285aa396c5cdb54009 [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.8 COCO[C@@H](C)C(=O)OC d3164128e1fe62adbc450c7289f3cf7d [0,2,0,0,0,0|2,0,0]=4 2716 B9R0.8 COCO[C@H](C)C(=O)OC 17521579f3e79d24afec0b769bf2889d [0,2,0,0,0,0|2,0,0]=4 2717 B9R0.8 CSCCN(C)C(=O)CO 82f74320f315c444aa3bc2b7091c9fd8 [0,2,0,0,0,0|2,0,0]=4 2718 B9R0.20 CCOCCS(=O)(=O)OC f5462b9518353984b62ef118cf6fa88f [0,2,0,0,0,0|2,0,0]=4 2719 B9R0.24 C#CC(=O)NCC(C)CC eeb3f1593ef5697a697231e5655cf5e5 [0,2,0,0,0,0|2,0,0]=4 2720 B9R0.24 C#CC(=O)NCC(O)CC a3064877d1f0e8465536a217f9016db8 [0,2,0,0,0,0|2,0,0]=4 2721 B9R0.24 C#CC(=O)NC[C@@H](C)CC 14264a207a356ac8bd8821577b0c36dd [0,2,0,0,0,0|2,0,0]=4 2722 B9R0.24 C#CC(=O)NC[C@H](O)CC 8b9853006def702ab3e26b6acdbcafac [0,2,0,0,0,0|2,0,0]=4 2723 B9R0.24 C=C(C=O)OCC(C)CC 94076fbb637be2099fefe5bb74ab7631 [0,2,0,0,0,0|2,0,0]=4 2724 B9R0.24 C=C(C=O)OC[C@@H](C)CC c92820c9001e5f184f75d6985b3ac715 [0,2,0,0,0,0|2,0,0]=4 2725 B9R0.24 C=C(C=O)OC[C@H](C)CC acdcdc2ceb58caf2909e400b4e88cdbc [0,2,0,0,0,0|2,0,0]=4 2726 B9R0.24 C=C(CNC(C)CC)OC 199745e170d7136057adf692fc38bc38 [0,2,0,0,0,0|2,0,0]=4 2727 B9R0.24 C=C(CN[C@@H](C)CC)OC 10f721623084d5e042fa686b6aba21f6 [0,2,0,0,0,0|2,0,0]=4 2728 B9R0.24 C=C(CN[C@H](C)CC)OC 36d91e5ccdad465db0f3ec237f974baa [0,2,0,0,0,0|2,0,0]=4 2729 B9R0.24 C=C(CO)CNC(C)CC f7e489a1daa82458cbf8b386d347af1d [0,2,0,0,0,0|2,0,0]=4 2730 B9R0.24 C=C(CO)CN[C@@H](C)CC 5f8000ccd35054ea6c50e9f85089bdf1 [0,2,0,0,0,0|2,0,0]=4 2731 B9R0.24 C=C(CO)CN[C@H](C)CC ea9e5c40fd15740e3eb8eadf2343cb70 [0,2,0,0,0,0|2,0,0]=4 2732 B9R0.24 C=C(COC(C)CC)OC 58b6feaf19e6f1997c779268ea3fd7b1 [0,2,0,0,0,0|2,0,0]=4 2733 B9R0.24 C=C(CO[C@@H](C)CC)OC 5dbf68339d968dae26f268e1b4530471 [0,2,0,0,0,0|2,0,0]=4 2734 B9R0.24 C=C(CO[C@H](C)CC)OC 465be8e09831cc0a52bf3701e0ba6f9b [0,2,0,0,0,0|2,0,0]=4 2735 B9R0.24 C=CC(=O)NCC(C)CC 741b92221edb49a5786b80da6b26f931 [0,2,0,0,0,0|2,0,0]=4 2736 B9R0.24 C=CC(=O)NCC(O)CC b7e1f3cdc2c992d954fae7c24caef83b [0,2,0,0,0,0|2,0,0]=4 2737 B9R0.24 C=CC(=O)NC[C@@H](C)CC ed2dd0e0ee88d18345665ce5dc441f7e [0,2,0,0,0,0|2,0,0]=4 2738 B9R0.24 C=CC(=O)NC[C@H](O)CC 1eef8d96e2aed42a7bc2a42dc790e786 [0,2,0,0,0,0|2,0,0]=4 2739 B9R0.24 CC(CO)CNC(=O)CO c433cb913c3f4a048671fb23e261810a [0,2,0,0,0,0|2,0,0]=4 2740 B9R0.24 CC(CO)NCC(=O)CO c585403df2dd549fbed6db13dd1f46fc [0,2,0,0,0,0|2,0,0]=4 2741 B9R0.24 CC(CO)NCC(=O)NO 4aeda96bb4fd1908b9129c8e3077b0d9 [0,2,0,0,0,0|2,0,0]=4 2742 B9R0.24 CCC(=O)CNC(C)CC 8a7f34411ea9ff22baecd2bec9987e81 [0,2,0,0,0,0|2,0,0]=4 2743 B9R0.24 CCC(=O)CN[C@@H](C)CC cf0e7ed200bceabd78136172de6ecd6c [0,2,0,0,0,0|2,0,0]=4 2744 B9R0.24 CCC(=O)CN[C@H](C)CC e6fe0f86a523db447d188f70083e09d0 [0,2,0,0,0,0|2,0,0]=4 2745 B9R0.24 CCC(=O)COC(C)CC 29d5bfcc3cb37f7ca0dad75c651a7aa4 [0,2,0,0,0,0|2,0,0]=4 2746 B9R0.24 CCC(=O)CO[C@@H](C)CC 83299bde6aa7b405212942272cb01c0d [0,2,0,0,0,0|2,0,0]=4 2747 B9R0.24 CCC(=O)CO[C@H](C)CC 22a053d890b84a836a154b9ddc55610a [0,2,0,0,0,0|2,0,0]=4 2748 B9R0.24 CCC(=O)NCC(=O)NO 07ad78ca4776594e09bc2b7c3a7c2f28 [0,2,0,0,0,0|1,0,1]=4 2749 B9R0.24 CCC(=O)NCC(=O)OC 5f6ec2d5f91cea317b39ea7a589feebf [0,2,0,0,0,0|1,0,1]=4 2750 B9R0.24 CCC(=O)NCC(C)CC 7a5f4f534369b61d9e8fb6bbf4fc8b31 [0,2,0,0,0,0|2,0,0]=4 2751 B9R0.24 CCC(=O)NCC(O)CC 0c6f585c4a613c01d94eec57c41006a2 [0,2,0,0,0,0|2,0,0]=4 2752 B9R0.24 CCC(=O)NC[C@@H](C)CC 20f140a9a510d7ecd72cce257acfa2d6 [0,2,0,0,0,0|2,0,0]=4 2753 B9R0.24 CCC(=O)NC[C@H](O)CC d28190137f6e71fee6c5823aba62fd52 [0,2,0,0,0,0|2,0,0]=4 2754 B9R0.24 CCC(C)CNC(=O)C=O 91d514cf28991274b1ca6d31974e5e31 [0,2,0,0,0,0|1,0,1]=4 2755 B9R0.24 CCC(C)CNC(=O)CF 62d42cdf2cc7f038e9e989a2ab9bdb8f [0,2,0,0,0,0|2,0,0]=4 2756 B9R0.24 CCC(C)CNC(=O)CO c83ed1127f884f4213e48db54a8973b6 [0,2,0,0,0,0|1,0,0]=3 2757 B9R0.24 CCC(C)CNC(=O)CS 583bdfa66e6c39cd626f1854cfe0c0b0 [0,2,0,0,0,0|1,1,0]=4 2758 B9R0.24 CCC(C)NCC(=O)CO 747086db77c014fda376410a8a49b40e [0,2,0,0,0,0|1,0,0]=3 2759 B9R0.24 CCC(C)NCC(=O)NC 2611a3dfb5b7c258664f7cb330ea6fec [0,2,0,0,0,0|2,0,0]=4 2760 B9R0.24 CCC(C)NCC(=O)NO 381df0511f7cfb53c95756cb7b77418d [0,2,0,0,0,0|1,0,0]=3 2761 B9R0.24 CCC(C)NCC(=O)OC 59c2530d5471f061d4aa62b34152d7d0 [0,2,0,0,0,0|1,0,0]=3 2762 B9R0.24 CCC(C)OCC(=O)NC fd2e488516bf2234fe71d5367b194c27 [0,2,0,0,0,0|2,0,0]=4 2763 B9R0.24 CCC(C)OCC(=O)OC 6aca864df4e41abf0022f5b67ba1eeb3 [0,2,0,0,0,0|1,0,0]=3 2764 B9R0.24 CCC(O)CNC(=O)C=O 589325bffb56b969b1f67eea67c8d0cc [0,2,0,0,0,0|1,0,1]=4 2765 B9R0.24 CCC(O)CNC(=O)CF 5703595eeaf3ecd363b7c14820e24fd8 [0,2,0,0,0,0|2,0,0]=4 2766 B9R0.24 CCC(O)CNC(=O)CO 0928fe22cca3c4eea08bea77b1ae9315 [0,2,0,0,0,0|1,0,0]=3 2767 B9R0.24 CCC(O)CNC(=O)CS a7aef8097f57ecee3e6d0de1b8bef33d [0,2,0,0,0,0|1,1,0]=4 2768 B9R0.24 CCN(C)CCC(=O)NC 2662066c50046d25efb4730369bf3acc [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.24 CCN(C)CCC(=O)OC d4cf3afdf7bf67f420c8138d9cf71b21 [0,2,0,0,0,0|1,0,0]=3 2770 B9R0.24 CCN(C)COC(=O)OC 7edde911e4bf2f7ddb416a1e0f67633c [0,2,0,0,0,0|2,0,0]=4 2771 B9R0.24 CC[C@@H](C)NCC(=O)CO d8b4c8bcceaf1479e8e5170a427a4480 [0,2,0,0,0,0|1,0,0]=3 2772 B9R0.24 CC[C@@H](C)NCC(=O)NC 0ca27b77de1e030aca1751b3aa23f4cf [0,2,0,0,0,0|2,0,0]=4 2773 B9R0.24 CC[C@@H](C)NCC(=O)OC 64edeba17979e2fe49241dd635a58ddb [0,2,0,0,0,0|1,0,0]=3 2774 B9R0.24 CC[C@@H](C)OCC(=O)NC 817bc16c72cd78f6e12f450b6b571e69 [0,2,0,0,0,0|2,0,0]=4 2775 B9R0.24 CC[C@@H](C)OCC(=O)OC 3145e5d285e192d9dfaf26cd6f7644e4 [0,2,0,0,0,0|1,0,0]=3 2776 B9R0.24 CC[C@@H](O)CNC(=O)C=O b2c16a451601358949d787dd856420b3 [0,2,0,0,0,0|1,0,1]=4 2777 B9R0.24 CC[C@@H](O)CNC(=O)CF ad570a8918919566498a65d0b9acf1d8 [0,2,0,0,0,0|2,0,0]=4 2778 B9R0.24 CC[C@@H](O)CNC(=O)CO 7575280e7285d9a3f58054ddb6e7bd3c [0,2,0,0,0,0|1,0,0]=3 2779 B9R0.24 CC[C@@H](O)CNC(=O)CS 54601b1a15927eccedc92db33a081850 [0,2,0,0,0,0|1,1,0]=4 2780 B9R0.24 CC[C@H](C)CNC(=O)C=O b152f22fd6d2bdaa800d838b41994c4f [0,2,0,0,0,0|1,0,1]=4 2781 B9R0.24 CC[C@H](C)CNC(=O)CF 54640882e6fae5c3ab1ad5ca09996f5a [0,2,0,0,0,0|2,0,0]=4 2782 B9R0.24 CC[C@H](C)CNC(=O)CO 71f236c0490b4515463a284ebbba7293 [0,2,0,0,0,0|1,0,0]=3 2783 B9R0.24 CC[C@H](C)CNC(=O)CS 479dfc2f85af34ba043b18392d8bbcea [0,2,0,0,0,0|1,1,0]=4 2784 B9R0.24 CC[C@H](C)NCC(=O)CO e9206ac8cc3cd983500ccf78b1aa4921 [0,2,0,0,0,0|1,0,0]=3 2785 B9R0.24 CC[C@H](C)NCC(=O)NC b6643c7b3c39b0dd63a44a929e3e3a20 [0,2,0,0,0,0|2,0,0]=4 2786 B9R0.24 CC[C@H](C)NCC(=O)OC 98f1fcbe76f73cc49ef7ab910e9d424b [0,2,0,0,0,0|1,0,0]=3 2787 B9R0.24 CC[C@H](C)OCC(=O)NC 8cc4a5382b0da495d42bf9faf91f3972 [0,2,0,0,0,0|2,0,0]=4 2788 B9R0.24 CC[C@H](C)OCC(=O)OC 86df6380b1146d2c264ca4f2009c7f20 [0,2,0,0,0,0|1,0,0]=3 2789 B9R0.24 COC(=O)CCN(C)CF df1ecc151d3c48659c12397496c94279 [0,2,0,0,0,0|2,0,0]=4 2790 B9R0.24 COC(=O)CCN(C)CO ab8817d781dac8c00b417de9f0f45392 [0,2,0,0,0,0|2,0,0]=4 2791 B9R0.24 COC(=O)CNC(C)CO 77bfeb42b55f78705d2d10d16062fb5d [0,2,0,0,0,0|2,0,0]=4 2792 B9R0.24 COC(=O)CN[C@@H](C)CO a8bf9a0ee8b1f8cec0f7a692c165f630 [0,2,0,0,0,0|2,0,0]=4 2793 B9R0.24 COC(=O)CN[C@H](C)CO 9b055f26dd8da05358a6f557b707100d [0,2,0,0,0,0|2,0,0]=4 2794 B9R0.24 COC(=O)COC(C)CF ae8e20076061c42c64980b5fad7cae0e [0,2,0,0,0,0|2,0,0]=4 2795 B9R0.24 COC(=O)COC(C)CS 9c5b6e99de02bc94886d5fea75f150a9 [0,2,0,0,0,0|2,0,0]=4 2796 B9R0.24 COC(=O)CO[C@H](C)CS 9763eb97166cb02d86ae0eeee7c72710 [0,2,0,0,0,0|2,0,0]=4 2797 B9R0.24 CO[C@@H](C)CNC(=O)CO b95fa8c7148a81b6451cdc622cbb6140 [0,2,0,0,0,0|2,0,0]=4 2798 B9R0.24 CO[C@H](C)CNC(=O)CO 27142753b862c3bf94f22d3bf8c13f99 [0,2,0,0,0,0|2,0,0]=4 2799 B9R0.24 C[C@@H](CO)NCC(=O)CO 3225b42a885f3ed6c68d39acb497e53e [0,2,0,0,0,0|2,0,0]=4 2800 B9R0.24 C[C@@H](CO)NCC(=O)NO c3a18fba71dcb5aefd276e7d08a9ad65 [0,2,0,0,0,0|2,0,0]=4 2801 B9R0.24 C[C@H](CO)CNC(=O)CO a5fe05048ffdec3dc3e750a075dbac29 [0,2,0,0,0,0|2,0,0]=4 2802 B9R0.24 C[C@H](CO)NCC(=O)CO b3f42dfe0dee068b7cc05a35951cfa2a [0,2,0,0,0,0|2,0,0]=4 2803 B9R0.24 C[C@H](CO)NCC(=O)NO 12ef88be17cdd87cc51ff039fa32572a [0,2,0,0,0,0|2,0,0]=4 2804 B9R0.24 O=C(CO)NCC(Br)CBr 09a2531b5ddbb7d54991fcfe9b2eb354 [0,2,0,0,0,0|2,0,0]=4 2805 B9R0.24 O=C(CO)NCC(F)CO f5afcde18fbedef6152670175120d59b [0,2,0,0,0,0|2,0,0]=4 2806 B9R0.24 O=C(CO)NCC(O)CO 59b8d1e3f5dbb6e0d8cc49e15f524bcd [0,2,0,0,0,0|2,0,0]=4 2807 B9R0.24 O=C(CO)NC[C@@H](F)CO b9c1f0734722ad851767f4eb2e4059da [0,2,0,0,0,0|2,0,0]=4 2808 B9R0.24 O=C(CO)NC[C@@H](O)CO 7aaab2ab4025c8fed32eec6928cf259f [0,2,0,0,0,0|2,0,0]=4 2809 B9R0.24 O=C(CO)NC[C@H](F)CO 2af544e2c542cb586c92bda3d07e068d [0,2,0,0,0,0|2,0,0]=4 2810 B9R0.24 O=C(CO)NC[C@H](O)CO 33ab51de405864fc5b6ae5961bb63355 [0,2,0,0,0,0|2,0,0]=4 2811 B9R0.46 C#CC(=O)NCCCCC 55fc13b7f9003645b4c9dcf569b4fc58 [0,2,0,0,0,0|1,0,0]=3 2812 B9R0.46 C#CC(=O)NCCCCCl 3674f21990062df31e12df9d4daa5cd6 [0,2,0,0,0,0|2,0,0]=4 2813 B9R0.46 C#CC(=O)NCCCCO e8f7fb5a6162ca32ac17445863f897b0 [0,2,0,0,0,0|2,0,0]=4 2814 B9R0.46 C#CC(=O)NCCCCS 04f3c04a5d817818e6da71d5d17e02f6 [0,2,0,0,0,0|2,0,0]=4 2815 B9R0.46 C#CC(=O)NCCCOC 420626e593e2197c5cda6c01fa78f1c3 [0,2,0,0,0,0|2,0,0]=4 2816 B9R0.46 C#CC(=O)NCCCSC 483070dad8d74f4940d7e7706a09d9ce [0,2,0,0,0,0|2,0,0]=4 2817 B9R0.46 C#CC(=O)NCCOCC 504072676d65eb8d923fe6ba8d095802 [0,2,0,0,0,0|2,0,0]=4 2818 B9R0.46 C#CC(=O)NCCSCC 91b900f5787dbc902ef5cb88ad96f3b7 [0,2,0,0,0,0|2,0,0]=4 2819 B9R0.46 C#CCCCNC(=O)CO 4282cfc741b277c19e776e135ada4d8a [0,2,0,0,0,0|0,0,2]=4 2820 B9R0.46 C#CCCNCC(=O)CO cea1f09168678d3a56c17332303a4197 [0,2,0,0,0,0|0,0,2]=4 2821 B9R0.46 C#CCCNCC(=O)NO b884405f0ebc086a33b066afd62d488d [0,2,0,0,0,0|0,0,2]=4 2822 B9R0.46 C#CCCNCC(=O)OC c485dc1476c1513f489771dd13aac821 [0,2,0,0,0,0|0,0,2]=4 2823 B9R0.46 C#CCCOCC(=O)OC b0ca59a0a29aadff7bd388d5bdaa43fa [0,2,0,0,0,0|0,0,2]=4 2824 B9R0.46 C#CCNCCC(=O)NO 9b5f056483b81acf80b27f4417b1634b [0,2,0,0,0,0|0,0,2]=4 2825 B9R0.46 C#CCNCCC(=O)OC e7d0bb4c4beece0f9f792dd00f08e2e6 [0,2,0,0,0,0|0,0,2]=4 2826 B9R0.46 C#CCOCCC(=O)OC fff3858d9b350308919b5bdc22e670e0 [0,2,0,0,0,0|0,0,2]=4 2827 B9R0.46 C/C=C/CNCC(=O)NO c15fcaf6f81cbb882e0d22e07a186140 [0,2,0,0,0,0|0,0,2]=4 2828 B9R0.46 C/C=C/CNCC(=O)OC 6f3d3544007b0e7617d15f94db3edb22 [0,2,0,0,0,0|0,0,2]=4 2829 B9R0.46 C/C=C/COCC(=O)OC 5b8108bef0d1608d3bf5154a5bad1927 [0,2,0,0,0,0|0,0,2]=4 2830 B9R0.46 C/C=C\CNCC(=O)NO ae756aa7efe0a146669dd3b19bde4c3b [0,2,0,0,0,0|0,0,2]=4 2831 B9R0.46 C/C=C\CNCC(=O)OC 32a295fd0ddc1865d36e4b6355b75208 [0,2,0,0,0,0|0,0,2]=4 2832 B9R0.46 C/C=C\COCC(=O)OC add1663ee33822f498b3a7c7964f86ff [0,2,0,0,0,0|0,0,2]=4 2833 B9R0.46 C=C(C#N)CNCCCC 7302d4651e82c6dda3e6a016dc2fdb5d [0,2,0,0,0,0|2,0,0]=4 2834 B9R0.46 C=C(C#N)COCCCC aa8eb4592546684a2d3a5ab4cd252b4a [0,2,0,0,0,0|2,0,0]=4 2835 B9R0.46 C=C(C=O)OCCCCC 73f23f9026875d2248a24c18d18361c4 [0,2,0,0,0,0|1,0,0]=3 2836 B9R0.46 C=C(C=O)OCCCCF 8d400df337a58e1ceb6bd7f7af37aef7 [0,2,0,0,0,0|2,0,0]=4 2837 B9R0.46 C=C(C=O)OCCCOC a7e10a6b7893363a34f234fe99f6d0a8 [0,2,0,0,0,0|2,0,0]=4 2838 B9R0.46 C=C(C=O)OCCCSC 234b14463c3e346d12feb8fafbbb4546 [0,2,0,0,0,0|2,0,0]=4 2839 B9R0.46 C=C(C=O)OCCOCC 06963c60068c2ced5ea76633006ea325 [0,2,0,0,0,0|2,0,0]=4 2840 B9R0.46 C=C(C=O)OCCSCC 96f672738e2630286ff8bb377631ed54 [0,2,0,0,0,0|2,0,0]=4 2841 B9R0.46 C=C(CC)CNCCCC 6b21372b0fb998f0d545c38b79091fc4 [0,2,0,0,0,0|2,0,0]=4 2842 B9R0.46 C=C(CC)COCCCC f20ffa48a6f681e217485ee3a2e54a80 [0,2,0,0,0,0|2,0,0]=4 2843 B9R0.46 C=C(CNCCCC)OC 9825a980fc85fa770a90f2c807e79cb3 [0,2,0,0,0,0|1,0,0]=3 2844 B9R0.46 C=C(CNCCCCl)OC 45ac5622590db56ddaafec051158bcb5 [0,2,0,0,0,0|2,0,0]=4 2845 B9R0.46 C=C(CNCCCO)OC 00a68e6630546f3feaa98f7b90135299 [0,2,0,0,0,0|2,0,0]=4 2846 B9R0.46 C=C(CNCCOC)OC 6e194692b42896ff17574e3fa49259cf [0,2,0,0,0,0|2,0,0]=4 2847 B9R0.46 C=C(CNCCSC)OC b34e0e0396560f3b68edeac964d7dbdf [0,2,0,0,0,0|2,0,0]=4 2848 B9R0.46 C=C(CO)CNCCCC 95db4a3fcbcacbb56c0b0802e017bef0 [0,2,0,0,0,0|1,0,0]=3 2849 B9R0.46 C=C(CO)CNCCCCl eecc73821b780e76438468524157acf3 [0,2,0,0,0,0|2,0,0]=4 2850 B9R0.46 C=C(CO)CNCCCO ab71bb268ba59b042df3282ecfd16849 [0,2,0,0,0,0|2,0,0]=4 2851 B9R0.46 C=C(CO)CNCCOC 6ece2a4c5cfde58edbd72b2262d9a7b8 [0,2,0,0,0,0|2,0,0]=4 2852 B9R0.46 C=C(CO)CNCCSC 170795028913d8c051e2c91826341b11 [0,2,0,0,0,0|2,0,0]=4 2853 B9R0.46 C=C(COCCCC)OC 23a23683e3ff82dc0ce66f5c7735aae5 [0,2,0,0,0,0|1,0,0]=3 2854 B9R0.46 C=C(COCCCF)OC 4e9af8be2efb9dfedd020a71daf1ecc0 [0,2,0,0,0,0|2,0,0]=4 2855 B9R0.46 C=C(COCCCS)OC 009ce88ee6c0ad6e00f309bef511c05e [0,2,0,0,0,0|2,0,0]=4 2856 B9R0.46 C=C(COCCOC)OC 97dcad9a95359dfb19897cc892e86707 [0,2,0,0,0,0|2,0,0]=4 2857 B9R0.46 C=C(COCCSC)OC d48fe0c27a198758209cb684aabc4bdd [0,2,0,0,0,0|2,0,0]=4 2858 B9R0.46 C=CC(=O)NCCCCC 3b0f86819ad9750509b8e015b4922164 [0,2,0,0,0,0|1,0,0]=3 2859 B9R0.46 C=CC(=O)NCCCCCl 037fbe1d4b2f181463bbb289db3ca074 [0,2,0,0,0,0|2,0,0]=4 2860 B9R0.46 C=CC(=O)NCCCCO ca93ef7e5445c9fdf6ec709699f55973 [0,2,0,0,0,0|2,0,0]=4 2861 B9R0.46 C=CC(=O)NCCCCS 92deec0ca07db651598afe9c510332d4 [0,2,0,0,0,0|2,0,0]=4 2862 B9R0.46 C=CC(=O)NCCCOC 8b1f992198a1c4b96b17b7923d7e394a [0,2,0,0,0,0|2,0,0]=4 2863 B9R0.46 C=CC(=O)NCCCSC c58aa27bbce2f539a76f326796f00759 [0,2,0,0,0,0|2,0,0]=4 2864 B9R0.46 C=CC(=O)NCCNCC efb87fcfc433bd5d917a12277ea2ff69 [0,2,0,0,0,0|2,0,0]=4 2865 B9R0.46 C=CC(=O)NCCOCC 31ad53c610530c8fb6f02d759d193915 [0,2,0,0,0,0|2,0,0]=4 2866 B9R0.46 C=CC(=O)NCCSCC db86a330ee341813a3c9eeeae4927fb3 [0,2,0,0,0,0|2,0,0]=4 2867 B9R0.46 C=CC(=O)NCOCCC 53f7efb31eae4af464fa455eda13bdab [0,2,0,0,0,0|2,0,0]=4 2868 B9R0.46 C=CC(=O)OCCOCC a7267376030751357e0b12ad264c9728 [0,2,0,0,0,0|2,0,0]=4 2869 B9R0.46 C=CC(O)CNCCCC 62bcdd9c10c55126c8e92a97a0820f32 [0,2,0,0,0,0|1,0,1]=4 2870 B9R0.46 C=CCCCNC(=O)CO 95a9f76533133480f421008cfe0bb549 [0,2,0,0,0,0|0,0,2]=4 2871 B9R0.46 C=CCCNCC(=O)CO 99741e47f9cfe9602791a85b39f510bd [0,2,0,0,0,0|0,0,2]=4 2872 B9R0.46 C=CCCNCC(=O)NO 133a1d1ce0497eb0d0cbae0ead99dc9a [0,2,0,0,0,0|0,0,2]=4 2873 B9R0.46 C=CCCNCC(=O)OC 5fb4be3d6bbd73ac1441b9f590623088 [0,2,0,0,0,0|0,0,2]=4 2874 B9R0.46 C=CCCOCC(=O)OC b9e51610685fdc73bf89906d5e006507 [0,2,0,0,0,0|0,0,2]=4 2875 B9R0.46 C=CCNCCC(=O)NO cdae065705abf68f2388b298522719de [0,2,0,0,0,0|0,0,2]=4 2876 B9R0.46 C=CCNCCC(=O)OC 7b455ae9a4f1be1462f3b8b1dae2c2d5 [0,2,0,0,0,0|0,0,2]=4 2877 B9R0.46 C=CCOCCC(=O)OC 46d19493bd3d42975ffe6dd72ccb8d71 [0,2,0,0,0,0|0,0,2]=4 2878 B9R0.46 CC#CCNCC(=O)CO 095bf7943e06575f02fa76794e21177b [0,2,0,0,0,0|0,0,2]=4 2879 B9R0.46 CC#CCNCC(=O)OC 37d35142201c1cd4b8670c62399a0d90 [0,2,0,0,0,0|0,0,2]=4 2880 B9R0.46 CC#CCOCC(=O)OC 76e36bb6dd1e710ba91875ad19f0246a [0,2,0,0,0,0|0,0,2]=4 2881 B9R0.46 CC=CCNCC(=O)CO e517718e4100543468260cf3c3dac5f9 [0,2,0,0,0,0|0,0,2]=4 2882 B9R0.46 CC=CCNCC(=O)OC 87a5ef408de8dabff44eb18793f2a2b4 [0,2,0,0,0,0|0,0,2]=4 2883 B9R0.46 CC=CCOCC(=O)OC d0e0bfd862a552b349cd9e0bc933c965 [0,2,0,0,0,0|0,0,2]=4 2884 B9R0.46 CCC(=O)CNCCCCl 084f431780a63ff3cebb43ca20d6371f [0,2,0,0,0,0|2,0,0]=4 2885 B9R0.46 CCC(=O)CNCCCO ad1bcc1a73963d84d1bed75acffddf2c [0,2,0,0,0,0|2,0,0]=4 2886 B9R0.46 CCC(=O)CNCCOC 693ead41c34309cd3f7a29c394f51ce1 [0,2,0,0,0,0|2,0,0]=4 2887 B9R0.46 CCC(=O)CNCCSC 2cc7cb6ff233c8bbb657ae3043f92502 [0,2,0,0,0,0|2,0,0]=4 2888 B9R0.46 CCC(=O)COCCCF 34ba52aa0b28bc859119658e634d4251 [0,2,0,0,0,0|2,0,0]=4 2889 B9R0.46 CCC(=O)COCCCS 2f3d517fdc40535b8ad4d871be51ef0c [0,2,0,0,0,0|2,0,0]=4 2890 B9R0.46 CCC(=O)COCCOC be359e566ead25dabb2a19812354325c [0,2,0,0,0,0|2,0,0]=4 2891 B9R0.46 CCC(=O)COCCSC e6f60d5f418aa82fd04b87e25f46a06e [0,2,0,0,0,0|2,0,0]=4 2892 B9R0.46 CCC(=O)NCCCCCl 8081b71d766c256ee6da55d9cbe39209 [0,2,0,0,0,0|2,0,0]=4 2893 B9R0.46 CCC(=O)NCCCCO 8628e89c17da0854907af2b22bdfd1c4 [0,2,0,0,0,0|2,0,0]=4 2894 B9R0.46 CCC(=O)NCCCCS 8259147db310bd3d03b77243f1626c91 [0,2,0,0,0,0|2,0,0]=4 2895 B9R0.46 CCC(=O)NCCCOC 3d06561303fae74e9ebe236f96b57cdc [0,2,0,0,0,0|2,0,0]=4 2896 B9R0.46 CCC(=O)NCCCSC c0a88e186e06619ed1f956bb505aa757 [0,2,0,0,0,0|2,0,0]=4 2897 B9R0.46 CCCCCCN(C)C=O bb80d4044c0f59026002adf38475cf21 [0,2,0,0,0,0|2,0,0]=4 2898 B9R0.46 CCCCCCN(C)CO 8a5f907b8eb3248d8092765efbdfb7c6 [0,2,0,0,0,0|2,0,0]=4 2899 B9R0.46 CCCCCNC(=O)C=O f4e49d97916bc3a259206e9c19346054 [0,2,0,0,0,0|0,0,1]=3 2900 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [0,2,0,0,0,0|1,0,0]=3 2901 B9R0.46 CCCCCNC(=O)CF a05eb2568b07d5cb7d8de0ce30087de3 [0,2,0,0,0,0|1,0,0]=3 2902 B9R0.46 CCCCCNC(=O)CO ec7a3042859a9f12ba052c0da8e4a7aa [0,2,0,0,0,0|0,0,0]=2 2903 B9R0.46 CCCCCNC(=O)CS 03156480cccef12f02d921dd33cd4590 [0,2,0,0,0,0|0,1,0]=3 2904 B9R0.46 CCCCCNC(C)C=O a1e76f644541968a2425e9e5ecba0c50 [0,2,0,0,0,0|1,0,1]=4 2905 B9R0.46 CCCCCNC(C)CO 130d859b8c3ec8415f617cafd7916a21 [0,2,0,0,0,0|1,0,1]=4 2906 B9R0.46 CCCCCN[C@@H](C)CO 20ec0daf9e04887c5212a5e8c7959dfd [0,2,0,0,0,0|1,0,1]=4 2907 B9R0.46 CCCCCN[C@H](C)C=O f165fdff1e1cb70bd9666da848ba80ab [0,2,0,0,0,0|1,0,1]=4 2908 B9R0.46 CCCCCN[C@H](C)CO febfc95055d8ed2fb693276cce938384 [0,2,0,0,0,0|1,0,1]=4 2909 B9R0.46 CCCCCOC(C)C=O e16af054a8530937c558322756befd3b [0,2,0,0,0,0|1,0,1]=4 2910 B9R0.46 CCCCCO[C@H](C)C=O a119465539c723056c69d3cef66a5d39 [0,2,0,0,0,0|1,0,1]=4 2911 B9R0.46 CCCCNC/C(=C/Cl)/Cl 0d680ba256822cfdaae23913bca8ee4c [0,2,0,0,0,0|2,0,0]=4 2912 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [0,2,0,0,0,0|1,0,0]=3 2913 B9R0.46 CCCCNCC(=O)CO 849bb04887baec980d5ebdd3d5bc69d7 [0,2,0,0,0,0|0,0,0]=2 2914 B9R0.46 CCCCNCC(=O)NC 1e17cf9400576df78ba3d0bbd5e004b2 [0,2,0,0,0,0|1,0,0]=3 2915 B9R0.46 CCCCNCC(=O)NO 967297a833a30ade90d2c8a822ad4789 [0,2,0,0,0,0|0,0,0]=2 2916 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [0,2,0,0,0,0|0,0,0]=2 2917 B9R0.46 CCCCNCC(C)CO 6da21364419b0c7c5b26455490267f1e [0,2,0,0,0,0|1,0,1]=4 2918 B9R0.46 CCCCNCC(C)OC c5b881b4571cefb9b8cc6509498fea93 [0,2,0,0,0,0|1,0,1]=4 2919 B9R0.46 CCCCNCC(F)CO ef01462d286e8a24585409774347d156 [0,2,0,0,0,0|1,0,1]=4 2920 B9R0.46 CCCCNCC(O)CC 46cb5b31215196bed41fac14cefadf78 [0,2,0,0,0,0|1,0,1]=4 2921 B9R0.46 CCCCNCC(O)CF a25c46def5aaeed0650a4676c74b8608 [0,2,0,0,0,0|1,0,1]=4 2922 B9R0.46 CCCCNCC(O)CO ac983613601cebc54cf5c91f0789f011 [0,2,0,0,0,0|0,0,2]=4 2923 B9R0.46 CCCCNC[C@@H](C)CO eb284f538845d26c0292210363d3a9ae [0,2,0,0,0,0|1,0,1]=4 2924 B9R0.46 CCCCNC[C@@H](C)OC 66a1d2fe69a7e3386efa0608767b75fb [0,2,0,0,0,0|1,0,1]=4 2925 B9R0.46 CCCCNC[C@@H](F)CO 08389c84f685c72abadef416a081d169 [0,2,0,0,0,0|1,0,1]=4 2926 B9R0.46 CCCCNC[C@@H](O)CO c855f4138f8af3c3918926fa7f309a61 [0,2,0,0,0,0|0,0,2]=4 2927 B9R0.46 CCCCNC[C@H](C)CO a46d55579d54fa2f3df45167dc865bff [0,2,0,0,0,0|1,0,1]=4 2928 B9R0.46 CCCCNC[C@H](C)OC 5293295331574cdeed3cec082b1404a4 [0,2,0,0,0,0|1,0,1]=4 2929 B9R0.46 CCCCNC[C@H](F)CO 8825965ce4d1c5b6f67f1eed1e05bf29 [0,2,0,0,0,0|1,0,1]=4 2930 B9R0.46 CCCCNC[C@H](O)CC f734ed05f673e984a2cecc562494193f [0,2,0,0,0,0|1,0,1]=4 2931 B9R0.46 CCCCNC[C@H](O)CO 19bfe4bb7f3792b152156a3887152ef5 [0,2,0,0,0,0|0,0,2]=4 2932 B9R0.46 CCCCOC/C(=C/Cl)/Cl 1cf0ffa034e56f45def6de04f86cf1ce [0,2,0,0,0,0|2,0,0]=4 2933 B9R0.46 CCCCOC/C(=C/I)/C 134f408ad86b4fa216de6242485f53ce [0,2,0,0,0,0|2,0,0]=4 2934 B9R0.46 CCCCOCC(=CI)C 92bbc597016e9492eb2cbf4ef70e5f3e [0,2,0,0,0,0|2,0,0]=4 2935 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [0,2,0,0,0,0|1,0,0]=3 2936 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [0,2,0,0,0,0|1,0,0]=3 2937 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [0,2,0,0,0,0|0,0,0]=2 2938 B9R0.46 CCCCOCC(C)OC 2ade9210dead56cd2b7c7e57c8d873e0 [0,2,0,0,0,0|1,0,1]=4 2939 B9R0.46 CCCCOCC(O)CO 1717e932150717b75d8ad0553e2508d5 [0,2,0,0,0,0|0,0,2]=4 2940 B9R0.46 CCCCOC[C@@H](C)OC 1674d41bc8c308e9ec2e3c7b89845743 [0,2,0,0,0,0|1,0,1]=4 2941 B9R0.46 CCCCOC[C@@H](O)CO 83f3d645ad47a54afee07c67e38801d8 [0,2,0,0,0,0|0,0,2]=4 2942 B9R0.46 CCCCOC[C@H](C)OC c4be72208ecd8f9f13f80938de346997 [0,2,0,0,0,0|1,0,1]=4 2943 B9R0.46 CCCCOC[C@H](O)CO 5961558aa91f8ff37bdd6ab712320a6b [0,2,0,0,0,0|0,0,2]=4 2944 B9R0.46 CCCNCCC(=O)NC 15c9bd5d976b45d01c0fa363e53c356e [0,2,0,0,0,0|1,0,0]=3 2945 B9R0.46 CCCNCCC(=O)NO 87fbbffe3fecd81db10ce5cd573c8fee [0,2,0,0,0,0|0,0,0]=2 2946 B9R0.46 CCCNCCC(=O)OC 05bc030a2f2408fd65b5ffca8abeab98 [0,2,0,0,0,0|0,0,0]=2 2947 B9R0.46 CCCNCCC(C)CO 118cba905597f4a9d0e6d27edffe4f3f [0,2,0,0,0,0|1,0,1]=4 2948 B9R0.46 CCCNCCC(O)CO 7b15bb4f22a27a1184f0c23b9426da4d [0,2,0,0,0,0|0,0,2]=4 2949 B9R0.46 CCCNCCS(=O)CC 35a572faf6496587285f91527b039120 [0,2,0,0,0,0|2,0,0]=4 2950 B9R0.46 CCCNCC[C@@H](C)CO 9de671ae77164dcceeedf8d4084dec20 [0,2,0,0,0,0|1,0,1]=4 2951 B9R0.46 CCCNCOC(=O)CC 5135722cfe6a14d8256a85f8111be929 [0,2,0,0,0,0|2,0,0]=4 2952 B9R0.46 CCCNCOC(=O)OC f670b6fcf3cafadb01eab83cce01794d [0,2,0,0,0,0|1,0,0]=3 2953 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [0,2,0,0,0,0|1,0,0]=3 2954 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [0,2,0,0,0,0|0,0,0]=2 2955 B9R0.46 CCCOCCC(C)OC cd29870169cadf82f6bbe85ce9f7b54f [0,2,0,0,0,0|1,0,1]=4 2956 B9R0.46 CCCOCCN(C)C=O 1992e4eb6f9e42487b54ea3b9d8f7b64 [0,2,0,0,0,0|2,0,0]=4 2957 B9R0.46 CCCOCCS(=O)CC df836a83d60347b60939b06320da5af3 [0,2,0,0,0,0|2,0,0]=4 2958 B9R0.46 CCCOCOC(=O)CC fc12ca63d515d86d2f674d2f74a06865 [0,2,0,0,0,0|2,0,0]=4 2959 B9R0.46 CCCOCOC(=O)OC f08733c900934115c08d74dfad3e1662 [0,2,0,0,0,0|1,0,0]=3 2960 B9R0.46 CCNCCCC(=O)OC 8791db4546254853c1d2c8daf04e29f1 [0,2,0,0,0,0|0,0,0]=2 2961 B9R0.46 CCNCCCC(C)CO c290f8dab7c2bada2b0324bd81530e9f [0,2,0,0,0,0|1,0,1]=4 2962 B9R0.46 CCNCCNC(=O)CC d05b1a7e2d3cebad7ef561e08a9f68d4 [0,2,0,0,0,0|2,0,0]=4 2963 B9R0.46 CCOC/C=C/C(=O)OC 768298698af36b745bc9dad60b33bf97 [0,2,0,0,0,0|0,0,2]=4 2964 B9R0.46 CCOCC#CC(=O)OC e15e1f9f4e388c6a32bbdba37a6a7dc7 [0,2,0,0,0,0|0,0,2]=4 2965 B9R0.46 CCOCCCC(=O)NC 8b277ae760d242e65f64127caa0bf565 [0,2,0,0,0,0|1,0,0]=3 2966 B9R0.46 CCOCCNC(=O)C=O 966071d4cf498dd5a511ec54d32c5f46 [0,2,0,0,0,0|1,0,1]=4 2967 B9R0.46 CCOCCNC(=O)CC bb89549179010db70c29ee3b9f4248d0 [0,2,0,0,0,0|2,0,0]=4 2968 B9R0.46 CCOCCNC(=O)CF d41b8e9912d9ad97fdf97596beae9298 [0,2,0,0,0,0|2,0,0]=4 2969 B9R0.46 CCOCCNC(=O)CO d9af89bf0c14e4934e6283e7e3b7f7b7 [0,2,0,0,0,0|1,0,0]=3 2970 B9R0.46 CCOCCNC(=O)CS 7901659e876ad5469c108978c39208e8 [0,2,0,0,0,0|1,1,0]=4 2971 B9R0.46 CCOCCOC(=O)CC cbe8829b561f0b4f11227dbb7fca44b4 [0,2,0,0,0,0|2,0,0]=4 2972 B9R0.46 CCOCCOC(=O)OC b297131086651eb5dcd01a50837d46c4 [0,2,0,0,0,0|1,0,0]=3 2973 B9R0.46 CCOCNCC(=O)NC f84212f98b0436e90d32d034a917c879 [0,2,0,0,0,0|2,0,0]=4 2974 B9R0.46 CCOCNCC(=O)NO 25547a165df168e935e83851ed230d1e [0,2,0,0,0,0|1,0,0]=3 2975 B9R0.46 CCOCNCC(=O)OC 27835f195b0bedba7d74a5f359d40b76 [0,2,0,0,0,0|1,0,0]=3 2976 B9R0.46 CCOCOCC(=O)CC a6933b2b2a32c7e2b806bc01fa6f7247 [0,2,0,0,0,0|2,0,0]=4 2977 B9R0.46 CCOCOCC(=O)NC 8e87944406fda3ab412201f3a710feed [0,2,0,0,0,0|2,0,0]=4 2978 B9R0.46 CCOCOCC(=O)OC 167c3e792b29957573aad87659d7bbe6 [0,2,0,0,0,0|1,0,0]=3 2979 B9R0.46 CCSCCNC(=O)C=O 3415b748537b6650cc2320e075e8660e [0,2,0,0,0,0|1,0,1]=4 2980 B9R0.46 CCSCCNC(=O)CC 70f4cbcf01905cc3c094d724b73e5668 [0,2,0,0,0,0|2,0,0]=4 2981 B9R0.46 CCSCCNC(=O)CF c8499d1a4cca566cb8cc55934ba02083 [0,2,0,0,0,0|2,0,0]=4 2982 B9R0.46 CCSCCNC(=O)CO f1c730e3c2ce8d72f812c2ff79daa704 [0,2,0,0,0,0|1,0,0]=3 2983 B9R0.46 CCSCCNC(=O)CS dde9b25e1370875d5dcea9a592ce2f24 [0,2,0,0,0,0|1,1,0]=4 2984 B9R0.46 CN(C=O)CCCCCO c53771f4b7aac7f2d7cf4ff756dc1493 [0,2,0,0,0,0|2,0,0]=4 2985 B9R0.46 CN(CO)CCCCCO 19fbbd92023ed199cc7bf0391767e059 [0,2,0,0,0,0|2,0,0]=4 2986 B9R0.46 CNC(=O)CCCOCF 65d9205729e2e6fd35291b183abc5c0f [0,2,0,0,0,0|2,0,0]=4 2987 B9R0.46 CNC(=O)CCNCCBr 58197e44cdc47ecbc8dd4c3ba9fbd95d [0,2,0,0,0,0|2,0,0]=4 2988 B9R0.46 CNC(=O)CCNCCF f16c5cbcb4052726e9c2dda8d55c554b [0,2,0,0,0,0|2,0,0]=4 2989 B9R0.46 CNC(=O)CCNCCI 836a7d9d868b77c781af9dba58b1ddcc [0,2,0,0,0,0|2,0,0]=4 2990 B9R0.46 CNC(=O)CCNCCO 98df73f33e1b075bda1acbb74fe1c8df [0,2,0,0,0,0|2,0,0]=4 2991 B9R0.46 CNC(=O)CCNCCS 4999ce45a3979a9d1ffaa8e0c584a82f [0,2,0,0,0,0|2,0,0]=4 2992 B9R0.46 CNC(=O)CCNCOC 7810742c9a7309d6a50e5583d1c7366c [0,2,0,0,0,0|2,0,0]=4 2993 B9R0.46 CNC(=O)CCNCSC 0dbf9ad1e8e43ecf93b4bf63fc81dbaa [0,2,0,0,0,0|2,0,0]=4 2994 B9R0.46 CNC(=O)CCOCCF b2e22a035cc2bd25c7b85b567f74cd31 [0,2,0,0,0,0|2,0,0]=4 2995 B9R0.46 CNC(=O)CCOCCS 067360fe45250b4deb2a92820d379203 [0,2,0,0,0,0|2,0,0]=4 2996 B9R0.46 CNC(=O)CCOCOC 00bdc051d7b098bed36277179c4c7787 [0,2,0,0,0,0|2,0,0]=4 2997 B9R0.46 CNC(=O)CCOCSC 32815e6ae018d6bf0c0d70259f25dc15 [0,2,0,0,0,0|2,0,0]=4 2998 B9R0.46 CNC(=O)CNCCCCl f33da0edd3b1ca6fafd30e8619d6f908 [0,2,0,0,0,0|2,0,0]=4 2999 B9R0.46 CNC(=O)CNCCCF c99e6740355bd3fd86f46be04b37b088 [0,2,0,0,0,0|2,0,0]=4 3000 B9R0.46 CNC(=O)CNCCCO 04620384c25840fda6cec1980d6e4534 [0,2,0,0,0,0|2,0,0]=4 3001 B9R0.46 CNC(=O)CNCCCS 9aea9ea78dd221b27be1bb53af4227f5 [0,2,0,0,0,0|2,0,0]=4 3002 B9R0.46 CNC(=O)CNCCOC 3560372e49cfd1a2ba747ed656f2948c [0,2,0,0,0,0|2,0,0]=4 3003 B9R0.46 CNC(=O)CNCCSC 5d20087e449164cd64dc97de1cf3722d [0,2,0,0,0,0|2,0,0]=4 3004 B9R0.46 CNC(=O)COCCCF 8229e19515927d2310fcb0ba5e5996c9 [0,2,0,0,0,0|2,0,0]=4 3005 B9R0.46 CNC(=O)COCCCS 5ab090b2e2f4779a1f6ba14a86fa323f [0,2,0,0,0,0|2,0,0]=4 3006 B9R0.46 CNC(=O)COCCOC b7ef10bc05872848d2a63f248fdeadb8 [0,2,0,0,0,0|2,0,0]=4 3007 B9R0.46 CNC(=O)COCCSC 843ca49f0bc1f19fb66ac222247b788e [0,2,0,0,0,0|2,0,0]=4 3008 B9R0.46 COC(=O)CCCNC#N c3ac6395e2552a003b0087420f82e6e2 [0,2,0,0,0,0|1,0,1]=4 3009 B9R0.46 COC(=O)CCCNC=O 8f1e475ecae02e6487f0d00c454ab8a4 [0,2,0,0,0,0|1,0,1]=4 3010 B9R0.46 COC(=O)CCCNCF e9250563d19357c2b217ddc01e5b54cc [0,2,0,0,0,0|1,0,0]=3 3011 B9R0.46 COC(=O)CCCNCO 7f4c543538d7d8c02923f8e5ee512b7d [0,2,0,0,0,0|1,0,0]=3 3012 B9R0.46 COC(=O)CCNCC#N f951188a0d42d764b1d0b96532bf9097 [0,2,0,0,0,0|1,0,1]=4 3013 B9R0.46 COC(=O)CCNCC=O 18818f3569d125c78fa9cd973dfcfc31 [0,2,0,0,0,0|1,0,1]=4 3014 B9R0.46 COC(=O)CCNCCBr 2e9d2d8ee2945dc03997f39ac9c22456 [0,2,0,0,0,0|1,0,0]=3 3015 B9R0.46 COC(=O)CCNCCF 2bfe6c663d75847c3cf0523a2f776449 [0,2,0,0,0,0|1,0,0]=3 3016 B9R0.46 COC(=O)CCNCCI f7228399f663e5c2847b83866d3779d1 [0,2,0,0,0,0|1,0,0]=3 3017 B9R0.46 COC(=O)CCNCCO 370144453eebf725a732ab3ac8cea44b [0,2,0,0,0,0|1,0,0]=3 3018 B9R0.46 COC(=O)CCNCCS 6b781ff091c75a1c77e9b99c78c0a8c2 [0,2,0,0,0,0|1,0,0]=3 3019 B9R0.46 COC(=O)CCNCSC f9cdc13e157a948defb075346b9d25c1 [0,2,0,0,0,0|1,0,0]=3 3020 B9R0.46 COC(=O)CCOCC#N e8ab08592658519cee32674e02824dae [0,2,0,0,0,0|1,0,1]=4 3021 B9R0.46 COC(=O)CCOCC=O e3e43780dfc83d77f81fdd568a9b5113 [0,2,0,0,0,0|1,0,1]=4 3022 B9R0.46 COC(=O)CCOCCF 628582c7630374a94e4bced8359c4233 [0,2,0,0,0,0|1,0,0]=3 3023 B9R0.46 COC(=O)CCOCCS 20528c74e4da9192ce01c8b31c16dba2 [0,2,0,0,0,0|1,0,0]=3 3024 B9R0.46 COC(=O)CCOCSC f8c9563c56621b9e36b8626b322b47d8 [0,2,0,0,0,0|1,0,0]=3 3025 B9R0.46 COC(=O)CNCCC#N 3a5596acc946f2f66bd1780540815e17 [0,2,0,0,0,0|1,0,1]=4 3026 B9R0.46 COC(=O)CNCCC=O d85234be549d90df78a6b5c9d1ea9a55 [0,2,0,0,0,0|1,0,1]=4 3027 B9R0.46 COC(=O)CNCCCCl 55e51726dd18a7f132b3e21305569abc [0,2,0,0,0,0|1,0,0]=3 3028 B9R0.46 COC(=O)CNCCCF e93d46be851bbddb3a2f9941aeed8ff2 [0,2,0,0,0,0|1,0,0]=3 3029 B9R0.46 COC(=O)CNCCCO 46abbcbf049316d92b11742c7ee09635 [0,2,0,0,0,0|1,0,0]=3 3030 B9R0.46 COC(=O)CNCCCS cea58286d3c1d454f8ec51cb225d8c9b [0,2,0,0,0,0|1,0,0]=3 3031 B9R0.46 COC(=O)CNCCON 518a9c0719f794ca86addc5e0064106c [0,2,0,0,0,0|2,0,0]=4 3032 B9R0.46 COC(=O)CNCCSC 8c188a6ed92fc6374ee2a2dbcfcee1cb [0,2,0,0,0,0|1,0,0]=3 3033 B9R0.46 COC(=O)COCCC#N b3c30530df1b1afb53bc332a70d862d0 [0,2,0,0,0,0|1,0,1]=4 3034 B9R0.46 COC(=O)COCCC=O d435b929cf2021dadfc1dd5d8636ed9e [0,2,0,0,0,0|1,0,1]=4 3035 B9R0.46 COC(=O)COCCCF eb4d08d12a32347963985a219a2436b3 [0,2,0,0,0,0|1,0,0]=3 3036 B9R0.46 COC(=O)COCCCS cead342093671334804d8e04218fd18f [0,2,0,0,0,0|1,0,0]=3 3037 B9R0.46 COC(=O)COCCSC f6bc7966168712e9ed4ac4cc1e9f6f92 [0,2,0,0,0,0|1,0,0]=3 3038 B9R0.46 COC(=O)OCCOCF e98dd05af7d2c94f94e4f3d0e2ed855c [0,2,0,0,0,0|2,0,0]=4 3039 B9R0.46 COC(=O)OCNCCBr 31572077acbc74c497adea5aac59608a [0,2,0,0,0,0|2,0,0]=4 3040 B9R0.46 COC(=O)OCNCCF 9ec05e01e27cce8275ad02a170f5dd3b [0,2,0,0,0,0|2,0,0]=4 3041 B9R0.46 COC(=O)OCNCCI dc24908a9e581c38488bf4a686543a37 [0,2,0,0,0,0|2,0,0]=4 3042 B9R0.46 COC(=O)OCNCCO b043b1f4c8b6ead733606d48fba1c12c [0,2,0,0,0,0|2,0,0]=4 3043 B9R0.46 COC(=O)OCNCCS cd076bc84e1a0cc472243a4b15b32669 [0,2,0,0,0,0|2,0,0]=4 3044 B9R0.46 COC(=O)OCOCCF d50173eb55ebfa5b25ba82997eed753c [0,2,0,0,0,0|2,0,0]=4 3045 B9R0.46 COC(=O)OCOCCS 04092d40ea56244b727f94fb9a6b6f65 [0,2,0,0,0,0|2,0,0]=4 3046 B9R0.46 COCCCCN(C)C=O c4af9136179b3511052f27a49eec2e11 [0,2,0,0,0,0|2,0,0]=4 3047 B9R0.46 COCCCCN(C)CO bfc1f18cd59c5de577ab9996b6c0c0a1 [0,2,0,0,0,0|2,0,0]=4 3048 B9R0.46 COCCCNC(=O)C=O 290a8c213bc9c4ea2729eb9887e718d1 [0,2,0,0,0,0|1,0,1]=4 3049 B9R0.46 COCCCNC(=O)CF 718d789d9c9b3de8ce7aaf799b138a49 [0,2,0,0,0,0|2,0,0]=4 3050 B9R0.46 COCCCNC(=O)CO 4b8e790e604cafa347f0e3785cd6641b [0,2,0,0,0,0|1,0,0]=3 3051 B9R0.46 COCCCNC(=O)CS 6542d3222e7a298778a1592dc2515b2a [0,2,0,0,0,0|1,1,0]=4 3052 B9R0.46 COCCNCC(=O)CO 63a1f7327e6e41ceaf0dc4abf111dde8 [0,2,0,0,0,0|1,0,0]=3 3053 B9R0.46 COCCNCC(=O)NO 156786e448c5581f406d9b2c47539a38 [0,2,0,0,0,0|1,0,0]=3 3054 B9R0.46 COCCNCC(=O)OC c9c694c5a89b651170c8ff4da2275f98 [0,2,0,0,0,0|1,0,0]=3 3055 B9R0.46 COCCOCC(=O)OC 2c6ae10da48fe440860bfbd6b88c257a [0,2,0,0,0,0|1,0,0]=3 3056 B9R0.46 COCNCCC(=O)NO a18e75fd577c81fbe36e1844be631c5d [0,2,0,0,0,0|1,0,0]=3 3057 B9R0.46 COCNCCC(=O)OC ce81a92d5ba5f01cc4823c162f22f501 [0,2,0,0,0,0|1,0,0]=3 3058 B9R0.46 COCOCCC(=O)OC 6aede0cdfec6dbd64f8c4300c142c36f [0,2,0,0,0,0|1,0,0]=3 3059 B9R0.46 COCOCOC(=O)OC 831dc3cd656f1065c91c21085ad03026 [0,2,0,0,0,0|2,0,0]=4 3060 B9R0.46 CSCCCNC(=O)C=O 28d590702e0165389862aff03ca57c7e [0,2,0,0,0,0|1,0,1]=4 3061 B9R0.46 CSCCCNC(=O)CF 9acc223c1c2784c04c0f9edcd685c29e [0,2,0,0,0,0|2,0,0]=4 3062 B9R0.46 CSCCCNC(=O)CO ce8082938571d6f8f53b5bb113c8236b [0,2,0,0,0,0|1,0,0]=3 3063 B9R0.46 CSCCCNC(=O)CS 3a7b1932bb117f738cca455d7c7d4dbd [0,2,0,0,0,0|1,1,0]=4 3064 B9R0.46 CSCCNCC(=O)CO 7c89e5a1f006448fd613535cd28802ad [0,2,0,0,0,0|1,0,0]=3 3065 B9R0.46 CSCCNCC(=O)NO f6a47dfef283be8a8bff346305d276b6 [0,2,0,0,0,0|1,0,0]=3 3066 B9R0.46 CSCNCCC(=O)NO 25a1df3c9f97b1c3c1f0ca74400b5fbb [0,2,0,0,0,0|1,0,0]=3 3067 B9R0.46 N#CCCCNC(=O)CO 278e61f65eab9ee34f2a8045065b9861 [0,2,0,0,0,0|1,0,1]=4 3068 B9R0.46 N#CCCNCC(=O)CO e23148dfab82744704d84a78b0da9679 [0,2,0,0,0,0|1,0,1]=4 3069 B9R0.46 N#CCCNCC(=O)NO 47b6a15fdd00b76d42ca4723072d66b3 [0,2,0,0,0,0|1,0,1]=4 3070 B9R0.46 N#CCNCCC(=O)NO 9c046ff072b48c80016059dda1272a12 [0,2,0,0,0,0|1,0,1]=4 3071 B9R0.46 NOCCNCC(=O)CO edcb25b0e39b45f61ac2f7b282badba6 [0,2,0,0,0,0|2,0,0]=4 3072 B9R0.46 O=C(CCNCCF)NO f1a9591f153b7094b34052ef875af092 [0,2,0,0,0,0|1,0,0]=3 3073 B9R0.46 O=C(CCNCCO)NO 4bc12b023a7f32124df7975893cf39fa [0,2,0,0,0,0|1,0,0]=3 3074 B9R0.46 O=C(CCNCCS)NO b30314455cdf548c1b393948aeb7885e [0,2,0,0,0,0|1,0,0]=3 3075 B9R0.46 O=C(CF)NCCCCCl 0711319b7e1ea6f21ff287829fc7e7fd [0,2,0,0,0,0|2,0,0]=4 3076 B9R0.46 O=C(CF)NCCCCO 55742d922757adee17ba8d48239de065 [0,2,0,0,0,0|2,0,0]=4 3077 B9R0.46 O=C(CF)NCCCCS 8c0613e01a020880b3b5fbe1760dcd85 [0,2,0,0,0,0|2,0,0]=4 3078 B9R0.46 O=C(CNCCCF)NO 30488df9150071cb426792d2d35fac00 [0,2,0,0,0,0|1,0,0]=3 3079 B9R0.46 O=C(CNCCCO)NO 1af4cc000f4aa1711c6c174f8442cc41 [0,2,0,0,0,0|1,0,0]=3 3080 B9R0.46 O=C(CNCCCS)NO 53f363bf54cfb783281d22850e95be2f [0,2,0,0,0,0|1,0,0]=3 3081 B9R0.46 O=C(CO)CNCCCCl 8c6bfe8efa640a8717c55064de15a6cf [0,2,0,0,0,0|1,0,0]=3 3082 B9R0.46 O=C(CO)CNCCCO 3c1be4b73536b5d9eb97bb93f1f5b814 [0,2,0,0,0,0|1,0,0]=3 3083 B9R0.46 O=C(CO)NCCCCCl f0ad0ac6e2645bb25ea69c74141c8d38 [0,2,0,0,0,0|1,0,0]=3 3084 B9R0.46 O=C(CO)NCCCCO 063fc2727d5485e0a8fd8539cfb094c8 [0,2,0,0,0,0|1,0,0]=3 3085 B9R0.46 O=C(CO)NCCCCS 317b4fdfe03e7ecdf2b9dbde8ca0a55e [0,2,0,0,0,0|1,0,0]=3 3086 B9R0.46 O=C(CS)NCCCCCl cda979a7f379ed028a0c788381d70f6a [0,2,0,0,0,0|1,1,0]=4 3087 B9R0.46 O=C(CS)NCCCCO 4fcea8da1f2ecdfd0c739dabea0c409c [0,2,0,0,0,0|1,1,0]=4 3088 B9R0.46 O=C(CS)NCCCCS c7942cb438cc8ef27453e514b7d0db1a [0,2,0,0,0,0|1,1,0]=4 3089 B9R0.46 O=CC(=O)NCCCCCl 2c631277b132dc9b6613657e3eccfe36 [0,2,0,0,0,0|1,0,1]=4 3090 B9R0.46 O=CC(=O)NCCCCO 5fd0c54a12d8e68e68b582ab82f25438 [0,2,0,0,0,0|1,0,1]=4 3091 B9R0.46 O=CC(=O)NCCCCS 8f6bba6de16ad95183bd9d73abba60eb [0,2,0,0,0,0|1,0,1]=4 3092 B9R0.46 O=CCCNCC(=O)NO eb3c60670eab8d6ffc0de73368c90825 [0,2,0,0,0,0|1,0,1]=4 3093 B9R0.46 O=CCNCCC(=O)NO 9f7be6cad06070483634c26c55313383 [0,2,0,0,0,0|1,0,1]=4 3094 B9R0.47 C#CCCNC(C)C(=O)O 9aaa9dadddc01d7cdb8f8e2c8d986b27 [0,2,0,0,0,0|0,0,2]=4 3095 B9R0.47 C#CCCNC(O)C(=O)O 109ec6eda65abad1293fcc919d4d7a92 [0,2,0,0,0,0|0,0,2]=4 3096 B9R0.47 C#CCCN[C@@H](C)C(=O)O afd99d4f9db357367e37be65820a2b29 [0,2,0,0,0,0|0,0,2]=4 3097 B9R0.47 C#CCCN[C@H](C)C(=O)O 718243880ab8ba95b403bf84b6041a37 [0,2,0,0,0,0|0,0,2]=4 3098 B9R0.47 C#CCCOC(C)C(=O)O 898491ad8210f7be07c5afa1f6463fcf [0,2,0,0,0,0|0,0,2]=4 3099 B9R0.47 C#CCCO[C@@H](C)C(=O)O bbd710a107fb609c4433029533930bee [0,2,0,0,0,0|0,0,2]=4 3100 B9R0.47 C#CCCO[C@H](C)C(=O)O 1abf9ee6720697c0f129fc8d4a16cc10 [0,2,0,0,0,0|0,0,2]=4 3101 B9R0.47 C#CCNCC(C)C(=O)O 90e0174315539ffb569ac2b80174cdeb [0,2,0,0,0,0|0,0,2]=4 3102 B9R0.47 C#CCNCC(O)C(=O)O 874554e0df6bee205f45fa9c0a8b663a [0,2,0,0,0,0|0,0,2]=4 3103 B9R0.47 C#CCNC[C@@H](C)C(=O)O f02fac291329f32ef1bb82cee8a06ba7 [0,2,0,0,0,0|0,0,2]=4 3104 B9R0.47 C#CCNC[C@@H](O)C(=O)O 1172e2b8a2de9524405128b6c8081259 [0,2,0,0,0,0|0,0,2]=4 3105 B9R0.47 C#CCNC[C@H](C)C(=O)O e4e4df47115bfc173701fcf2d2d726ec [0,2,0,0,0,0|0,0,2]=4 3106 B9R0.47 C#CCNC[C@H](O)C(=O)O 8be99a98c5a9c23088f910be465afe31 [0,2,0,0,0,0|0,0,2]=4 3107 B9R0.47 C#CCOCC(C)C(=O)O b5b09a1e77bd736a716257214144c14e [0,2,0,0,0,0|0,0,2]=4 3108 B9R0.47 C#CCOC[C@@H](C)C(=O)O 057cf510f51a5a5b504ef12414d5cbe4 [0,2,0,0,0,0|0,0,2]=4 3109 B9R0.47 C#CCOC[C@H](C)C(=O)O ba3131f84b75d2c458743ee41e60d676 [0,2,0,0,0,0|0,0,2]=4 3110 B9R0.47 C/C=C/CNC(C)C(=O)O 4aa46a6a5b61d83e51c186b50e9ba54a [0,2,0,0,0,0|0,0,2]=4 3111 B9R0.47 C/C=C/CNC(O)C(=O)O 906b892f63784cb8f60b4e51381e3384 [0,2,0,0,0,0|0,0,2]=4 3112 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 5231e64c4a03a159432e9adc2388905b [0,2,0,0,0,0|0,0,2]=4 3113 B9R0.47 C/C=C/CN[C@H](C)C(=O)O 14a0d063c94c883c6dd352b5e508e926 [0,2,0,0,0,0|0,0,2]=4 3114 B9R0.47 C/C=C/COC(C)C(=O)O 82f7f061ae93bda52c10b753eafcfd87 [0,2,0,0,0,0|0,0,2]=4 3115 B9R0.47 C/C=C/CO[C@@H](C)C(=O)O 2e5b4c3aa12c6e83da48403889a5aa01 [0,2,0,0,0,0|0,0,2]=4 3116 B9R0.47 C/C=C/CO[C@H](C)C(=O)O 0c38ee8b384c69e12654325f05d511a8 [0,2,0,0,0,0|0,0,2]=4 3117 B9R0.47 C/C=C\CNC(C)C(=O)O 6cc6e7dc976a9bf206c62be4d75f5c54 [0,2,0,0,0,0|0,0,2]=4 3118 B9R0.47 C/C=C\CNC(O)C(=O)O c843741f3db062a6d8bd8a00ce21063c [0,2,0,0,0,0|0,0,2]=4 3119 B9R0.47 C/C=C\CN[C@@H](C)C(=O)O 627408bf100813bc560a3ea189e5b402 [0,2,0,0,0,0|0,0,2]=4 3120 B9R0.47 C/C=C\CN[C@H](C)C(=O)O 4120306531d8303b31c02a20de66cc17 [0,2,0,0,0,0|0,0,2]=4 3121 B9R0.47 C/C=C\COC(C)C(=O)O 6041bc3ab5a06eb384f19d1362651c9c [0,2,0,0,0,0|0,0,2]=4 3122 B9R0.47 C/C=C\CO[C@@H](C)C(=O)O 1c574a56decf07d593019585e9afaa12 [0,2,0,0,0,0|0,0,2]=4 3123 B9R0.47 C/C=C\CO[C@H](C)C(=O)O bbbea57a557d0d6446da76d0a42c4a63 [0,2,0,0,0,0|0,0,2]=4 3124 B9R0.47 C=C(Br)C(=O)NCCCC a63699a68aa22227103f5d8e65213d42 [0,2,0,0,0,0|2,0,0]=4 3125 B9R0.47 C=C(C)C(=O)NCCCC 9633bcca99f1bcc8d8b16f91ececec4f [0,2,0,0,0,0|2,0,0]=4 3126 B9R0.47 C=C(CNCCBr)C(=O)O c2988fd0f1c2ff5b40abfbf5100d37f2 [0,2,0,0,0,0|1,0,1]=4 3127 B9R0.47 C=C(CNCCC)C(=O)O cc82fa0972a2a8db8be4ec490c803358 [0,2,0,0,0,0|0,0,1]=3 3128 B9R0.47 C=C(CNCCF)C(=O)O 791053d442571eec44ea42a595c51f93 [0,2,0,0,0,0|1,0,1]=4 3129 B9R0.47 C=C(CNCCI)C(=O)O 1550abda08210dcfc820980fc4556b50 [0,2,0,0,0,0|1,0,1]=4 3130 B9R0.47 C=C(CNCCO)C(=O)O 927d3c374dca002677ce011f1f1589f4 [0,2,0,0,0,0|1,0,1]=4 3131 B9R0.47 C=C(CNCCS)C(=O)O 7b229baff524caf3fcc37a51ebbcbfe5 [0,2,0,0,0,0|1,0,1]=4 3132 B9R0.47 C=C(COCCC)C(=O)O 6349e1fecc0027622ab4063869db7ad1 [0,2,0,0,0,0|0,0,1]=3 3133 B9R0.47 C=C(COCCF)C(=O)O 8e5f19ef7ea198153a766caad601e6d3 [0,2,0,0,0,0|1,0,1]=4 3134 B9R0.47 C=C(COCCS)C(=O)O d26062daf53a0693123b55ae449b4416 [0,2,0,0,0,0|1,0,1]=4 3135 B9R0.47 C=C(COCOC)C(=O)O db9a1d87974cd7afb451a971dc800c29 [0,2,0,0,0,0|1,0,1]=4 3136 B9R0.47 C=C(COCSC)C(=O)O e48cab1f5cec74e7f20a44e87bb004f7 [0,2,0,0,0,0|1,0,1]=4 3137 B9R0.47 C=C(Cl)C(=O)NCCCC df2fd604f008e64fca1a4ccf36dda2cb [0,2,0,0,0,0|2,0,0]=4 3138 B9R0.47 C=C(F)C(=O)NCCCC 68a3dfc300c4b4a8a941583a9530da97 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.47 C=C(I)[C@H](C)CNCCC cfce1aff3b51edb52ecbc394f78b09b0 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.47 C=C(I)[C@H](C)COCCC 7ccc91e89ed0d92904c3b8e98bbd8d5a [0,2,0,0,0,0|2,0,0]=4 3141 B9R0.47 C=CCCNC(C)C(=O)O 26a70bb4d2f33579271331ae009f6a81 [0,2,0,0,0,0|0,0,2]=4 3142 B9R0.47 C=CCCNC(F)C(=O)O 2589ea31654413bfd887a6ad2e117fca [0,2,0,0,0,0|0,0,2]=4 3143 B9R0.47 C=CCCNC(O)C(=O)O e3e53d3dacb790ef31edd6e49426c1e5 [0,2,0,0,0,0|0,0,2]=4 3144 B9R0.47 C=CCCN[C@@H](C)C(=O)O 044ba7ce2fb9fbcf7092137b59af1cf0 [0,2,0,0,0,0|0,0,2]=4 3145 B9R0.47 C=CCCN[C@@H](F)C(=O)O 96b7aed512c42a295536c0e726e00b43 [0,2,0,0,0,0|0,0,2]=4 3146 B9R0.47 C=CCCN[C@H](C)C(=O)O e1f2570210ff080b19e47098f3e700d1 [0,2,0,0,0,0|0,0,2]=4 3147 B9R0.47 C=CCCOC(C)C(=O)O 57cdb48a5adbb16866e6a82a9c1bb90e [0,2,0,0,0,0|0,0,2]=4 3148 B9R0.47 C=CCCO[C@@H](C)C(=O)O b82b39af7ffc1e7e2e0d24264d4e2374 [0,2,0,0,0,0|0,0,2]=4 3149 B9R0.47 C=CCCO[C@H](C)C(=O)O 880f91efa72b41348d06c5dfb14bde1f [0,2,0,0,0,0|0,0,2]=4 3150 B9R0.47 C=CCNCC(C)C(=O)O 84492b534636ae050906a3c2f79aecde [0,2,0,0,0,0|0,0,2]=4 3151 B9R0.47 C=CCNCC(F)C(=O)O 8bb4b9f5796e1fb72b9c930f66d63559 [0,2,0,0,0,0|0,0,2]=4 3152 B9R0.47 C=CCNCC(O)C(=O)O 113c8c6476de3c8c39183572c17a7ff2 [0,2,0,0,0,0|0,0,2]=4 3153 B9R0.47 C=CCNC[C@@H](C)C(=O)O 96ca9646b5f126126b51aa9d04bea846 [0,2,0,0,0,0|0,0,2]=4 3154 B9R0.47 C=CCNC[C@@H](O)C(=O)O fb06ce30f20ff3d6367d039a1cc13f82 [0,2,0,0,0,0|0,0,2]=4 3155 B9R0.47 C=CCNC[C@H](C)C(=O)O 8893f7663122e8c8db2ad1594660c127 [0,2,0,0,0,0|0,0,2]=4 3156 B9R0.47 C=CCNC[C@H](O)C(=O)O b05a4975a0b75cf54afa0681ca52b2be [0,2,0,0,0,0|0,0,2]=4 3157 B9R0.47 C=CCOCC(C)C(=O)O bff45a2935ad0970b2a16430db69c0a5 [0,2,0,0,0,0|0,0,2]=4 3158 B9R0.47 C=CCOC[C@@H](C)C(=O)O 420778358ae53f0e37997308c9dff5bb [0,2,0,0,0,0|0,0,2]=4 3159 B9R0.47 C=CCOC[C@H](C)C(=O)O 95baadb47b38b50d45cb9d4e989165fc [0,2,0,0,0,0|0,0,2]=4 3160 B9R0.47 CC(=O)C(C)COCCF d9199bd35eb3a0d86d7196c7edaf28a6 [0,2,0,0,0,0|2,0,0]=4 3161 B9R0.47 CC(=O)C(C)COCCS b5792902c335fbc91a99c92c76f4a3db [0,2,0,0,0,0|2,0,0]=4 3162 B9R0.47 CC(=O)C(C)NCCCCl eda7aa9cc1bea1a5b1053123f010acb1 [0,2,0,0,0,0|2,0,0]=4 3163 B9R0.47 CC(=O)C(C)NCCCO 4f1c0cc14cb97d06145440a0908ade4f [0,2,0,0,0,0|2,0,0]=4 3164 B9R0.47 CC(=O)C(C)OCCCF ae1bb5f07026ca335c76712e926bea04 [0,2,0,0,0,0|2,0,0]=4 3165 B9R0.47 CC(=O)C(C)OCCCS 94b5d5985bff151041a96c5eff5a3497 [0,2,0,0,0,0|2,0,0]=4 3166 B9R0.47 CC(=O)N(C)CCCCO 0cdea0fc1398458c07cce2a7b6874e07 [0,2,0,0,0,0|2,0,0]=4 3167 B9R0.47 CC(CNCC#N)C(=O)O 06beec1be4ccc5ab7b53bd210f063e32 [0,2,0,0,0,0|1,0,1]=4 3168 B9R0.47 CC(CNCC=O)C(=O)O dac1078447c82894577f75973cfad279 [0,2,0,0,0,0|1,0,1]=4 3169 B9R0.47 CC(CNCCBr)C(=O)O c7d1487fde4ea4cc6653ff5635f8ed6d [0,2,0,0,0,0|1,0,0]=3 3170 B9R0.47 CC(CNCCF)C(=O)O 4255c25247e223f121134f538e55471f [0,2,0,0,0,0|1,0,0]=3 3171 B9R0.47 CC(CNCCI)C(=O)O 92baf5147337d51bf46031c8dc51d184 [0,2,0,0,0,0|1,0,0]=3 3172 B9R0.47 CC(CNCCO)C(=O)O 1240dbd52a9116186b4b4b867d423d4f [0,2,0,0,0,0|1,0,0]=3 3173 B9R0.47 CC(CNCCS)C(=O)O 8bec92f1ed20dfa81c8b7d9a96584477 [0,2,0,0,0,0|1,0,0]=3 3174 B9R0.47 CC(COCC#N)C(=O)O bb25d367218c4bb6dd91f62f9c372809 [0,2,0,0,0,0|1,0,1]=4 3175 B9R0.47 CC(COCC=O)C(=O)O 7fbd7b6d90109bc51c632e75ba7efddb [0,2,0,0,0,0|1,0,1]=4 3176 B9R0.47 CC(COCCF)C(=O)O 01ce687756d0dd1ab9f72a0c7b92f276 [0,2,0,0,0,0|1,0,0]=3 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11c95f2941d4973124e2e18e075d4c11 [0,2,0,0,0,0|1,0,0]=3 3372 B9R0.47 C[C@H](NCCC#N)C(=O)O 80396862e1211de5d4abcb4817bcab6d [0,2,0,0,0,0|1,0,1]=4 3373 B9R0.47 C[C@H](NCCC=O)C(=O)O 65f084f1001e100255a73258e44616cc [0,2,0,0,0,0|1,0,1]=4 3374 B9R0.47 C[C@H](NCCCCl)C(=O)N 84bb8b46414ae7fe5d4fb03c56642131 [0,2,0,0,0,0|2,0,0]=4 3375 B9R0.47 C[C@H](NCCCCl)C(=O)O 87153e4a57ba8429a20364e258186ae9 [0,2,0,0,0,0|1,0,0]=3 3376 B9R0.47 C[C@H](NCCCF)C(=O)N 1158bbccb7c298a92b976114c2776f67 [0,2,0,0,0,0|2,0,0]=4 3377 B9R0.47 C[C@H](NCCCF)C(=O)O 455f51c1bc6306b88a3c27de650423be [0,2,0,0,0,0|1,0,0]=3 3378 B9R0.47 C[C@H](NCCCO)C(=O)N ab4eaaed3ec2e397e888b8dc6d6412ce [0,2,0,0,0,0|2,0,0]=4 3379 B9R0.47 C[C@H](NCCCO)C(=O)O dbe202cded99362dfc45aa71c39b7eb5 [0,2,0,0,0,0|1,0,0]=3 3380 B9R0.47 C[C@H](NCCCS)C(=O)N 1ae5df7a2611d29a2d013564696d0238 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.47 C[C@H](NCCCS)C(=O)O bd56693ec2b9ed459b50dfc13b1f4492 [0,2,0,0,0,0|1,0,0]=3 3382 B9R0.47 C[C@H](O)C(=O)NCCCCl caaf0f9b5063d2d2ad2615c9eade8535 [0,2,0,0,0,0|2,0,0]=4 3383 B9R0.47 C[C@H](O)C(=O)NCCCO 4f765bc105a804c3c1972b22e3f801a1 [0,2,0,0,0,0|2,0,0]=4 3384 B9R0.47 C[C@H](OCCC#N)C(=O)O b6118858b2de7f3501d8b90c7736a496 [0,2,0,0,0,0|1,0,1]=4 3385 B9R0.47 C[C@H](OCCC=O)C(=O)O 17a38e6749eb2ce6ebbf5c57cc327ebd [0,2,0,0,0,0|1,0,1]=4 3386 B9R0.47 C[C@H](OCCCF)C(=O)N 4fa038794a5490bedbf3ae6819d466c5 [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.47 C[C@H](OCCCF)C(=O)O 025d1de81ef19c2829e9c715489ed779 [0,2,0,0,0,0|1,0,0]=3 3388 B9R0.47 C[C@H](OCCCS)C(=O)N 1e5babef798c8356e10c6643dabc8161 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.47 N#CCCNC(O)C(=O)O 209e3bb9c44e9d9fd5aa9f2ea67dcc1f [0,2,0,0,0,0|1,0,1]=4 3390 B9R0.47 N#CCNCC(F)C(=O)O 1187888e290796fc59815bdc76400fa1 [0,2,0,0,0,0|1,0,1]=4 3391 B9R0.47 N#CCNCC(O)C(=O)O 49074b2380d5725c40285017d140b802 [0,2,0,0,0,0|1,0,1]=4 3392 B9R0.47 N#CCNC[C@@H](O)C(=O)O 9d8f928e8da4adafa40be4280c04d041 [0,2,0,0,0,0|1,0,1]=4 3393 B9R0.47 N#CCNC[C@H](O)C(=O)O 0881e5028e7d6fcfb3fcbc422f0aefb0 [0,2,0,0,0,0|1,0,1]=4 3394 B9R0.47 NC(=O)C(F)NCCCCl 0c8e54ce08e3b06e4c6f3161d390d0fb [0,2,0,0,0,0|2,0,0]=4 3395 B9R0.47 NC(=O)C(F)NCCCO c613bc210b55d58d0d1d9786d615f6b7 [0,2,0,0,0,0|2,0,0]=4 3396 B9R0.47 NC(=O)C(F)OCCCF 8243d678e6f4b360316037515117cebd [0,2,0,0,0,0|2,0,0]=4 3397 B9R0.47 NC(=O)C(F)OCCCS 97ba0031943eefb90621e91fb7779a04 [0,2,0,0,0,0|2,0,0]=4 3398 B9R0.47 O=C(NCCCCl)C(O)O 65afc9458a809e801d1d906c1d11da42 [0,2,0,0,0,0|2,0,0]=4 3399 B9R0.47 O=C(NCCCO)C(O)O 016aa5e94a42e4b92c5351220b0f73e0 [0,2,0,0,0,0|2,0,0]=4 3400 B9R0.47 O=C(O)C(=O)CNCCBr f6651853e52af775211a93fc42b73664 [0,2,0,0,0,0|1,0,1]=4 3401 B9R0.47 O=C(O)C(=O)CNCCF a5eef4c013481978b3e177e7376126bb [0,2,0,0,0,0|1,0,1]=4 3402 B9R0.47 O=C(O)C(=O)CNCCI c428e759e713f445f24952fbd8bf0823 [0,2,0,0,0,0|1,0,1]=4 3403 B9R0.47 O=C(O)C(=O)CNCCO fd1bcde29292cc872de9cc5361703dcf [0,2,0,0,0,0|1,0,1]=4 3404 B9R0.47 O=C(O)C(=O)CNCCS b31fbb8366edfe8e4009c3f2bb659eed [0,2,0,0,0,0|1,0,1]=4 3405 B9R0.47 O=C(O)C(=O)COCCS 217dd678c30b71c11c4400350b430f7f [0,2,0,0,0,0|1,0,1]=4 3406 B9R0.47 O=C(O)C(F)CCNCF 2abb8d1fe88b0111fdbfb97f08985175 [0,2,0,0,0,0|1,0,0]=3 3407 B9R0.47 O=C(O)C(F)CCNCO 1c16d4233a720ae5a11c0b544d4e8538 [0,2,0,0,0,0|1,0,0]=3 3408 B9R0.47 O=C(O)C(F)CNCCF bc27c59f49d09f14551c721c4213d464 [0,2,0,0,0,0|1,0,0]=3 3409 B9R0.47 O=C(O)C(F)CNCCO 597c59dba8debc3a750f38fb05b95366 [0,2,0,0,0,0|1,0,0]=3 3410 B9R0.47 O=C(O)C(F)CNCCS 256baf77c4e810fe87f77ab9eb17e3a1 [0,2,0,0,0,0|1,0,0]=3 3411 B9R0.47 O=C(O)C(O)CCNCF 978e7a242bdd10f5361f85f00f74a696 [0,2,0,0,0,0|1,0,0]=3 3412 B9R0.47 O=C(O)C(O)CCNCO 2ba2720a3da106e551885ac55efe3c3c [0,2,0,0,0,0|1,0,0]=3 3413 B9R0.47 O=C(O)C(O)CNCCF 892296d858aed3a8b2bdced17cb03706 [0,2,0,0,0,0|1,0,0]=3 3414 B9R0.47 O=C(O)C(O)CNCCI 551ce46f1a6c4059d0ddf6cb67a2a002 [0,2,0,0,0,0|1,0,0]=3 3415 B9R0.47 O=C(O)C(O)CNCCO d2bf09f48377f15f821580767e3429b2 [0,2,0,0,0,0|1,0,0]=3 3416 B9R0.47 O=C(O)C(O)CNCCS 7a001e29e68c999b97b9febbdf61354a [0,2,0,0,0,0|1,0,0]=3 3417 B9R0.47 O=C(O)C(O)NCCCF d198fc87f8a140da8525b1f899a1d113 [0,2,0,0,0,0|1,0,0]=3 3418 B9R0.47 O=C(O)C(O)NCCCO 1964c40dd265d0751cbf6e9db2c18a82 [0,2,0,0,0,0|1,0,0]=3 3419 B9R0.47 O=C(O)C(O)NCCCS 280cf89800f0c0fb2f6939e643e90d8e [0,2,0,0,0,0|1,0,0]=3 3420 B9R0.47 O=C(O)[C@@H](O)CCNCF 752ab70d2be40a9c9af5bd04c1064498 [0,2,0,0,0,0|1,0,0]=3 3421 B9R0.47 O=C(O)[C@@H](O)CCNCO 6291bbc1a4f2e1ea1f5c3bc5f4667f5f [0,2,0,0,0,0|1,0,0]=3 3422 B9R0.47 O=C(O)[C@@H](O)CNCCF 1f722cb60445ae222b0c65467451da98 [0,2,0,0,0,0|1,0,0]=3 3423 B9R0.47 O=C(O)[C@@H](O)CNCCI 10f6f5e94768506bcf731ced65012583 [0,2,0,0,0,0|1,0,0]=3 3424 B9R0.47 O=C(O)[C@@H](O)CNCCO cb0c725a39540e509a82a31572e081bf [0,2,0,0,0,0|1,0,0]=3 3425 B9R0.47 O=C(O)[C@@H](O)CNCCS 3c37a51c4462b5737c9d42367d0b82fa [0,2,0,0,0,0|1,0,0]=3 3426 B9R0.47 O=C(O)[C@H](O)CNCCF ffdf19b8b8a4a72db66db50281457bde [0,2,0,0,0,0|1,0,0]=3 3427 B9R0.47 O=C(O)[C@H](O)CNCCO ffc079c1bb43161077e31f96585637b4 [0,2,0,0,0,0|1,0,0]=3 3428 B9R0.47 O=C(O)[C@H](O)CNCCS aac0d2989cac0e7da0faa02ccf107405 [0,2,0,0,0,0|1,0,0]=3 3429 B9R0.47 O=CCCNC(O)C(=O)O 4e588261d8c718aec57a1325859dcc05 [0,2,0,0,0,0|1,0,1]=4 3430 B9R0.47 O=CCNCC(F)C(=O)O 3f0bf8fcf5035a43a4afc58572288589 [0,2,0,0,0,0|1,0,1]=4 3431 B9R0.47 O=CCNCC(O)C(=O)O 6d274d8b5f82feb8a38e2005a642350d [0,2,0,0,0,0|1,0,1]=4 3432 B9R0.47 O=CCNC[C@@H](O)C(=O)O 927801bc9fed5ca554f9ee4c79b9bd46 [0,2,0,0,0,0|1,0,1]=4 3433 B9R0.47 O=CCNC[C@H](O)C(=O)O c9237b4f784ae2a0bbd471ccfc266b51 [0,2,0,0,0,0|1,0,1]=4 3434 B9R0.2 C#CCCCCNC(=O)C 17a5fb310ae275da10c09cc8e56cb744 [0,2,0,0,0,0|1,0,1]=4 3435 B9R0.2 C#CCCCNCC(=O)C 85b511946396328a4830c965f2348ae8 [0,2,0,0,0,0|1,0,1]=4 3436 B9R0.2 C#CCCCNCC(=O)N 422b7eb983c8d6d4c6a758d9ab0f2df7 [0,2,0,0,0,0|1,0,1]=4 3437 B9R0.2 C#CCCCNCC(=O)O 975c67599d89c29829229a46ede70bbb [0,2,0,0,0,0|0,0,1]=3 3438 B9R0.2 C#CCCCOCC(=O)C de3c7e0bcdc679c333ea741fa094448e [0,2,0,0,0,0|1,0,1]=4 3439 B9R0.2 C#CCCCOCC(=O)N 14a2f4968765ea6ed7f09f07a0b8db8d [0,2,0,0,0,0|1,0,1]=4 3440 B9R0.2 C#CCCCOCC(=O)O 2f70653e4facc4c8d709313f8dc49158 [0,2,0,0,0,0|0,0,1]=3 3441 B9R0.2 C#CCCCOCS(=O)O 29f2f36ea91b87fb43128c2c7982145c [0,2,0,0,0,0|1,0,1]=4 3442 B9R0.2 C#CCCNCCC(=O)C b0de599e71706c38ab2308189ee5632b [0,2,0,0,0,0|1,0,1]=4 3443 B9R0.2 C#CCCNCCC(=O)N 75d12e33ede0bd8f8903ae1ba5239d36 [0,2,0,0,0,0|1,0,1]=4 3444 B9R0.2 C#CCCNCCC(=O)O f0943ce659e8236030e08bb793a8f150 [0,2,0,0,0,0|0,0,1]=3 3445 B9R0.2 C#CCCNCCS(=O)O 66d714dc7d5862fe8cfea7f88734b5f1 [0,2,0,0,0,0|1,0,1]=4 3446 B9R0.2 C#CCCOCCC(=O)C b8244bb9bfd056e8f9af77c283ea3633 [0,2,0,0,0,0|1,0,1]=4 3447 B9R0.2 C#CCCOCCC(=O)N 3fb9e148bca1413b81a3d889789966a5 [0,2,0,0,0,0|1,0,1]=4 3448 B9R0.2 C#CCCOCCC(=O)O 2c4ce5e28749673faf099da9626deea5 [0,2,0,0,0,0|0,0,1]=3 3449 B9R0.2 C#CCNCCCC(=O)C fcdbd9383acaf798dc1d1cfe9c3fb1ec [0,2,0,0,0,0|1,0,1]=4 3450 B9R0.2 C#CCNCCCC(=O)N e56db46af5c039e11cb1d1aa3b0634c7 [0,2,0,0,0,0|1,0,1]=4 3451 B9R0.2 C#CCNCCCC(=O)O f5a7649eb03cadc3fa013b1b8dd09d6d [0,2,0,0,0,0|0,0,1]=3 3452 B9R0.2 C#CCOCCCC(=O)C 262583a5c500c382f7e7a9ff6529f8ea [0,2,0,0,0,0|1,0,1]=4 3453 B9R0.2 C#CCOCCCC(=O)N 7e37b09b4e6b21ea1d64ae2c91c7b976 [0,2,0,0,0,0|1,0,1]=4 3454 B9R0.2 C/C=C/CCOCC(=O)N 1b4c278fa7da72d5ef7b5d74cc032b71 [0,2,0,0,0,0|1,0,1]=4 3455 B9R0.2 C/C=C/CCOCC(=O)O d02eb75e5aadfb9961c8467e0504d028 [0,2,0,0,0,0|0,0,1]=3 3456 B9R0.2 C/C=C/CNCCC(=O)N 2c66c5b06aebbc0554671340b76b821f [0,2,0,0,0,0|1,0,1]=4 3457 B9R0.2 C/C=C/CNCCC(=O)O 320ccfadee70343ec534463874adee9c [0,2,0,0,0,0|0,0,1]=3 3458 B9R0.2 C/C=C/CNCCS(=O)O d88302a45905a749b1c62df3b0b218da [0,2,0,0,0,0|1,0,1]=4 3459 B9R0.2 C/C=C/COCCC(=O)C 858ea95d33d428d48407fa618083ad57 [0,2,0,0,0,0|1,0,1]=4 3460 B9R0.2 C/C=C/COCCC(=O)N 9f1ef4b90fcdbe460fd864847b4fb003 [0,2,0,0,0,0|1,0,1]=4 3461 B9R0.2 C/C=C/COCCC(=O)O de4483f9043c4323aa635f969181027c [0,2,0,0,0,0|0,0,1]=3 3462 B9R0.2 C/C=C\CNCCC(=O)N d1ba06ad775bc882fa1fc61022310a26 [0,2,0,0,0,0|1,0,1]=4 3463 B9R0.2 C/C=C\CNCCC(=O)O 3db27db0f3bf53817103cf733a337082 [0,2,0,0,0,0|0,0,1]=3 3464 B9R0.2 C/C=C\CNCCS(=O)O b563b810dc1a25926eca1b23efe9707e [0,2,0,0,0,0|1,0,1]=4 3465 B9R0.2 C/C=C\COCCC(=O)C 2a3ddac5ad4ddb2079c9ab12180deff2 [0,2,0,0,0,0|1,0,1]=4 3466 B9R0.2 C/C=C\COCCC(=O)N 2f6e28aba292265c8dfbc55d4ac756f7 [0,2,0,0,0,0|1,0,1]=4 3467 B9R0.2 C/C=C\COCCC(=O)O 77884cf4196c6ee578ac2dc56b34854b [0,2,0,0,0,0|0,0,1]=3 3468 B9R0.2 C=C(Br)CCOCCCC 89aeee49c614e8b481f89262dbe440df [0,2,0,0,0,0|2,0,0]=4 3469 B9R0.2 C=C(Br)CCOCCCF 08ac2e8fb91b2fcff0fda563b7ff8c56 [0,2,0,0,0,0|2,0,0]=4 3470 B9R0.2 C=C(Br)CCOCCCS 61e491a5e045ff62deb7b9a7fa27f14e [0,2,0,0,0,0|2,0,0]=4 3471 B9R0.2 C=C(Br)CCOCCOC a62c141e23f02e0dd3bd90886ea4c3c3 [0,2,0,0,0,0|2,0,0]=4 3472 B9R0.2 C=C(Br)CCOCCSC 650adca430c56802c92cbb8dffeb10d2 [0,2,0,0,0,0|2,0,0]=4 3473 B9R0.2 C=C(Br)CCOCOCC 9c266a169a6b731fe0e057eb8001d1f9 [0,2,0,0,0,0|2,0,0]=4 3474 B9R0.2 C=C(Br)CNCCCCC d279768b5fdacaf2cda306ea756513dc [0,2,0,0,0,0|2,0,0]=4 3475 B9R0.2 C=C(Br)CNCCCCCl 18e13d7050df2748c836843a207af4ab [0,2,0,0,0,0|2,0,0]=4 3476 B9R0.2 C=C(Br)CNCCCCF 4fb3ccb693b8922bcc63a8e789f9407a [0,2,0,0,0,0|2,0,0]=4 3477 B9R0.2 C=C(Br)CNCCCCO bcd7c7ee8dbd41f45c793181bbb5dc30 [0,2,0,0,0,0|2,0,0]=4 3478 B9R0.2 C=C(Br)CNCCCCS 78f752f2c9899306dfd1d9f8ef8758fa [0,2,0,0,0,0|2,0,0]=4 3479 B9R0.2 C=C(Br)CNCCCOC 9bf06ff187261bfc3f96278cfc538940 [0,2,0,0,0,0|2,0,0]=4 3480 B9R0.2 C=C(Br)CNCCCSC 5bf91a1989c4567d484796b7ee4ab621 [0,2,0,0,0,0|2,0,0]=4 3481 B9R0.2 C=C(Br)CNCCOCC 5cfec76638e46e12a20fb02de3362a4a [0,2,0,0,0,0|2,0,0]=4 3482 B9R0.2 C=C(Br)CNCCSCC f9bba534ed4213216e82dd22ca5c021b [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.2 C=C(Br)COCCCCC d3362ef2dbe291c29da898c0e2060a14 [0,2,0,0,0,0|2,0,0]=4 3484 B9R0.2 C=C(Br)COCCCCF cd90ef163e98b46dcbf73fd6b66f406e [0,2,0,0,0,0|2,0,0]=4 3485 B9R0.2 C=C(Br)COCCCCS 6f8de5642f894539d555799ccbdcc37d [0,2,0,0,0,0|2,0,0]=4 3486 B9R0.2 C=C(Br)COCCCOC cd22307043a4a4b2f52da469ae9be5f1 [0,2,0,0,0,0|2,0,0]=4 3487 B9R0.2 C=C(Br)COCCCSC c0fa526ed600ecc0d780c699bd6db040 [0,2,0,0,0,0|2,0,0]=4 3488 B9R0.2 C=C(Br)COCCOCC 499fdf490c6b0aa16a42dc6262ffdd3a [0,2,0,0,0,0|2,0,0]=4 3489 B9R0.2 C=C(Br)COCCSCC 36301ec92908db3abda4d03a8faccc8e [0,2,0,0,0,0|2,0,0]=4 3490 B9R0.2 C=C(C)CCCNCCBr 8986ff0e04952bb90f74c67731a75fd2 [0,2,0,0,0,0|2,0,0]=4 3491 B9R0.2 C=C(C)CCCNCCC c3cac283cbd12fbf0ac91ae77d2206d5 [0,2,0,0,0,0|2,0,0]=4 3492 B9R0.2 C=C(C)CCCNCCF d3c4c55543f36bd3903e059501c3d001 [0,2,0,0,0,0|2,0,0]=4 3493 B9R0.2 C=C(C)CCCNCCI 184729b900abd96b8560210fbdea6404 [0,2,0,0,0,0|2,0,0]=4 3494 B9R0.2 C=C(C)CCCNCCO 72fb4abcfc8c2de4dbf836b0a286d07d [0,2,0,0,0,0|2,0,0]=4 3495 B9R0.2 C=C(C)CCCNCCS 14d4198a01b6e03d3a77d8b021a66905 [0,2,0,0,0,0|2,0,0]=4 3496 B9R0.2 C=C(C)CCCOCCC 4f69b68cc6888e5abf6b0488c9a109cb [0,2,0,0,0,0|2,0,0]=4 3497 B9R0.2 C=C(C)CCCOCCF 76308bdaa6e0eb46160468a356d7a021 [0,2,0,0,0,0|2,0,0]=4 3498 B9R0.2 C=C(C)CCCOCCS a710447b0c92193b6683bcf667e183ab [0,2,0,0,0,0|2,0,0]=4 3499 B9R0.2 C=C(C)CCCOCOC 53d906b0b2c23661dc9c041465ee2d83 [0,2,0,0,0,0|2,0,0]=4 3500 B9R0.2 C=C(C)CCCOCSC 9ff01b72a38ffef747abe164c40eb460 [0,2,0,0,0,0|2,0,0]=4 3501 B9R0.2 C=C(C)CCNCCCC 09dea3d5646408c299eb2754a1e1c1cd [0,2,0,0,0,0|2,0,0]=4 3502 B9R0.2 C=C(C)CCNCCCCl 19de048ac51673d3aaa6bc3af0aa5d9d [0,2,0,0,0,0|2,0,0]=4 3503 B9R0.2 C=C(C)CCNCCCF 2f6cde27e0b18a81893366038308fdcc [0,2,0,0,0,0|2,0,0]=4 3504 B9R0.2 C=C(C)CCNCCCO 237e934407e2f80895a50d460e0c174d [0,2,0,0,0,0|2,0,0]=4 3505 B9R0.2 C=C(C)CCNCCCS 4635bf0b3492075a5f5d59b65999782e [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.2 C=C(C)CCNCCOC aa8a0a94c006c73f923a51cdae3f1f8e [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.2 C=C(C)CCNCCSC d4578dbebf7d4724205bf99fa2f9ba72 [0,2,0,0,0,0|2,0,0]=4 3508 B9R0.2 C=C(C)CCNCOCC f4de9c2329a0a38ab41bb7a5ba8afe05 [0,2,0,0,0,0|2,0,0]=4 3509 B9R0.2 C=C(C)CCOCCCC 43e61bb8669727040bdbd33fc265d7ab [0,2,0,0,0,0|2,0,0]=4 3510 B9R0.2 C=C(C)CCOCCCF 4f05183773f76ad70187bfb2b5db2add [0,2,0,0,0,0|2,0,0]=4 3511 B9R0.2 C=C(C)CCOCCCS 54edad4905aa6a90dd74a875f3b8580c [0,2,0,0,0,0|2,0,0]=4 3512 B9R0.2 C=C(C)CCOCCOC 67bd7d77bcb9250ea71c8a04c5abf232 [0,2,0,0,0,0|2,0,0]=4 3513 B9R0.2 C=C(C)CCOCCSC 2419d01dab7f58e2ba353b19229cf906 [0,2,0,0,0,0|2,0,0]=4 3514 B9R0.2 C=C(C)CCOCOCC 8f670049fe2e01cc3448c7e08491639e [0,2,0,0,0,0|2,0,0]=4 3515 B9R0.2 C=C(C)CNCCCCC 1fe982b20ee6c93d1b92220bddb7f573 [0,2,0,0,0,0|2,0,0]=4 3516 B9R0.2 C=C(C)CNCCCCCl b17281cb04bf565fb5b282dcd6071adf [0,2,0,0,0,0|2,0,0]=4 3517 B9R0.2 C=C(C)CNCCCCF a4723fc738cce1ba2188e74635f5f9ae [0,2,0,0,0,0|2,0,0]=4 3518 B9R0.2 C=C(C)CNCCCCO f295044566a501ed18f2fadfcbe93198 [0,2,0,0,0,0|2,0,0]=4 3519 B9R0.2 C=C(C)CNCCCCS 1bb6b0faba82bc9dfa9cf2626a5de19e [0,2,0,0,0,0|2,0,0]=4 3520 B9R0.2 C=C(C)CNCCCOC 0ac9088df74f601b70445d799c91be29 [0,2,0,0,0,0|2,0,0]=4 3521 B9R0.2 C=C(C)CNCCCSC fd251088811ac4fee5625d3fe27b3427 [0,2,0,0,0,0|2,0,0]=4 3522 B9R0.2 C=C(C)CNCCOCC 84c994c2359feab13720c16b66645287 [0,2,0,0,0,0|2,0,0]=4 3523 B9R0.2 C=C(C)CNCCSCC fd8e3fc32786755a703764fd326a09da [0,2,0,0,0,0|2,0,0]=4 3524 B9R0.2 C=C(C)COCCCCC a29929c8df945f31fba1ca688247acb0 [0,2,0,0,0,0|2,0,0]=4 3525 B9R0.2 C=C(C)COCCCCF cf601ba6ef881d7ca1cf3f8cbe7608cb [0,2,0,0,0,0|2,0,0]=4 3526 B9R0.2 C=C(C)COCCCCS 8620ff2b2c37e1b6d86f0c7727ba02cb [0,2,0,0,0,0|2,0,0]=4 3527 B9R0.2 C=C(C)COCCCOC 2997bb7f8cda230019814f31b39c3495 [0,2,0,0,0,0|2,0,0]=4 3528 B9R0.2 C=C(C)COCCCSC b8eaf779a617118d20a8c289148d24b7 [0,2,0,0,0,0|2,0,0]=4 3529 B9R0.2 C=C(C)COCCOCC 49014f9a0948543aa38cd68db94b7916 [0,2,0,0,0,0|2,0,0]=4 3530 B9R0.2 C=C(C)COCCSCC a78c536cb05957de27781c26ce16a376 [0,2,0,0,0,0|2,0,0]=4 3531 B9R0.2 C=C(Cl)CNCCCCC 3426772373d2ee591d1567d95131ca5d [0,2,0,0,0,0|2,0,0]=4 3532 B9R0.2 C=C(Cl)CNCCCCCl 07d951ac778f280fac6fa78677e22fc7 [0,2,0,0,0,0|2,0,0]=4 3533 B9R0.2 C=C(Cl)CNCCCCO 9c5f92be763dae29ee5d1791e269975f [0,2,0,0,0,0|2,0,0]=4 3534 B9R0.2 C=C(Cl)CNCCCCS 02c74a8e001567183ed97baf601b4796 [0,2,0,0,0,0|2,0,0]=4 3535 B9R0.2 C=C(Cl)CNCCCOC b8e59472c0f665132bf0a12e4a413af7 [0,2,0,0,0,0|2,0,0]=4 3536 B9R0.2 C=C(Cl)CNCCCSC 23413e5771406c085cf6dab86d815e15 [0,2,0,0,0,0|2,0,0]=4 3537 B9R0.2 C=C(Cl)CNCCOCC 4f632e57b8f73797a4aba49f5bf9dc84 [0,2,0,0,0,0|2,0,0]=4 3538 B9R0.2 C=C(Cl)CNCCSCC be34d3775f82bf388f4072c95a735932 [0,2,0,0,0,0|2,0,0]=4 3539 B9R0.2 C=C(Cl)COCCCCC 57ce6103051dc6a3f88df4c556cae1cb [0,2,0,0,0,0|2,0,0]=4 3540 B9R0.2 C=C(Cl)COCCCCF 567382900af5cdbe29a16c2ad078542b [0,2,0,0,0,0|2,0,0]=4 3541 B9R0.2 C=C(Cl)COCCCCS 6d2e486e1ec1a305effa235ddd5681b2 [0,2,0,0,0,0|2,0,0]=4 3542 B9R0.2 C=C(Cl)COCCCOC a468fb93755d9f5366e10bd900631531 [0,2,0,0,0,0|2,0,0]=4 3543 B9R0.2 C=C(Cl)COCCCSC 9f18158a03f253996639947f3c3e438f [0,2,0,0,0,0|2,0,0]=4 3544 B9R0.2 C=C(Cl)COCCOCC 421cc8d91a44a370d0764c174fc7914a [0,2,0,0,0,0|2,0,0]=4 3545 B9R0.2 C=C(Cl)COCCSCC d345fb4a323db8f45f6ac36761aa1ebe [0,2,0,0,0,0|2,0,0]=4 3546 B9R0.2 C=C(F)CNCCCCCl 761bebe0832055a65e98ed281f773c78 [0,2,0,0,0,0|2,0,0]=4 3547 B9R0.2 C=C(F)CNCCCCO cb7a959baa54bf2f113c6a0aefb6408c [0,2,0,0,0,0|2,0,0]=4 3548 B9R0.2 C=C(F)CNCCCSC df38254f0fa48a87c14ccc1978436327 [0,2,0,0,0,0|2,0,0]=4 3549 B9R0.2 C=C(F)CNCCSCC 46da77e19d87bd39cb815986f8047e75 [0,2,0,0,0,0|2,0,0]=4 3550 B9R0.2 C=C(F)COCCCCC 0f55d43253501cd8e5c46108728cd273 [0,2,0,0,0,0|2,0,0]=4 3551 B9R0.2 C=C(F)COCCCCF d33e0990d3dfe90fd10847ec2a6c2d5d [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.2 C=C(F)COCCCCS 4b1e094f2ade4de23dfea50a3fbd3605 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.2 C=C(F)COCCCOC 099ba9b5ad1513a7e3cbef2be9d1fdac [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.2 C=C(F)COCCCSC 3774eb63bb00bd17a7135027babe2992 [0,2,0,0,0,0|2,0,0]=4 3555 B9R0.2 C=C(F)COCCOCC ad422a2bc0564566d990a9adfdecaac6 [0,2,0,0,0,0|2,0,0]=4 3556 B9R0.2 C=C(F)COCCSCC bbd04362f0872b5ceba8a7a42c56bfb4 [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.2 C=C(I)COCCCCC c852b2428fca73d35ed637c77ee2c36e [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.2 C=C(I)COCCCCF 08ab89f0db0ad370ac41c4b15db42cba [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.2 C=C(I)COCCCOC 369b68cc758a31d752e1dc56f8ee0af7 [0,2,0,0,0,0|2,0,0]=4 3560 B9R0.2 C=C(I)COCCCSC 5d0c97ba36352d4811d8649d537df4d6 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.2 C=C(I)COCCOCC 0b5afc65e1ebe418868266904d39aa3a [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.2 C=C(I)COCCSCC e5211c118d8c61788b0570d5ad93a21c [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.2 C=C=CCCOCC(=O)O 3d2f778bfede470814833932641b8dd6 [0,2,0,0,0,0|0,0,2]=4 3564 B9R0.2 C=CCCCCNC(=O)C e363a045dea279ada86c2460a8f9bcff [0,2,0,0,0,0|1,0,1]=4 3565 B9R0.2 C=CCCCNCC(=O)C 6f9860b69421ae53f4aa8aab3f88206c [0,2,0,0,0,0|1,0,1]=4 3566 B9R0.2 C=CCCCNCC(=O)N 8c050bcb16397c545676f8ccaf3ff612 [0,2,0,0,0,0|1,0,1]=4 3567 B9R0.2 C=CCCCNCC(=O)O a6a74f703c15b040a944f1de5b7b31dd [0,2,0,0,0,0|0,0,1]=3 3568 B9R0.2 C=CCCCOCC(=O)C d117c37583b469359d4bb73ae405c58e [0,2,0,0,0,0|1,0,1]=4 3569 B9R0.2 C=CCCCOCC(=O)N a71db548756a9d786302c30982c036e5 [0,2,0,0,0,0|1,0,1]=4 3570 B9R0.2 C=CCCCOCC(=O)O 1c361a5699eb9366896dc4e13da269f8 [0,2,0,0,0,0|0,0,1]=3 3571 B9R0.2 C=CCCCOCS(=O)O c9d562aa38377771bc1c2a1e6304d1e4 [0,2,0,0,0,0|1,0,1]=4 3572 B9R0.2 C=CCCNCCC(=O)C 931becbc31ffa1a17243333f7bced09b [0,2,0,0,0,0|1,0,1]=4 3573 B9R0.2 C=CCCNCCC(=O)N 185ea1dfba44894df83c1b20bfe59e67 [0,2,0,0,0,0|1,0,1]=4 3574 B9R0.2 C=CCCNCCC(=O)O 6eb4f7dd1144c7fedf5fea8b2859a1ee [0,2,0,0,0,0|0,0,1]=3 3575 B9R0.2 C=CCCNCCS(=O)O d396b92b845845b863daeac25bb9a091 [0,2,0,0,0,0|1,0,1]=4 3576 B9R0.2 C=CCCOCCC(=O)C 132546dab84893072980505fc0c16835 [0,2,0,0,0,0|1,0,1]=4 3577 B9R0.2 C=CCCOCCC(=O)N aee188e7bbb14f2cdec6e6f3ddb9e064 [0,2,0,0,0,0|1,0,1]=4 3578 B9R0.2 C=CCCOCCC(=O)O 4d70a4bce8840eff55803b219a083b32 [0,2,0,0,0,0|0,0,1]=3 3579 B9R0.2 C=CCNCCCC(=O)N d7d54590933421a302fe06ba923c08bd [0,2,0,0,0,0|1,0,1]=4 3580 B9R0.2 C=CCNCCCC(=O)O 524c2ab7faae5f35e54c1740aff30774 [0,2,0,0,0,0|0,0,1]=3 3581 B9R0.2 C=CCOCCCC(=O)C 7c50ee2dd017285f672ea091a47723d2 [0,2,0,0,0,0|1,0,1]=4 3582 B9R0.2 C=CCOCCCC(=O)N c9f1b7b97de59f816cade2621052d370 [0,2,0,0,0,0|1,0,1]=4 3583 B9R0.2 C=COCCNCC(=O)O 8e73f67ff3897e4f73503772783dce81 [0,2,0,0,0,0|0,0,2]=4 3584 B9R0.2 C=COCCOCC(=O)O 811f84f15057d7b4da539ff618db8abc [0,2,0,0,0,0|0,0,2]=4 3585 B9R0.2 CC#CCCOCC(=O)N bc9abb0a0ba18b9bab73788c80785feb [0,2,0,0,0,0|1,0,1]=4 3586 B9R0.2 CC#CCCOCC(=O)O ee60ee9c54d89ce6a41b3081a53bfa26 [0,2,0,0,0,0|0,0,1]=3 3587 B9R0.2 CC#CCNCCC(=O)C f3d87c769e5454e79e92da2d21a3cce6 [0,2,0,0,0,0|1,0,1]=4 3588 B9R0.2 CC#CCNCCC(=O)N ebcbe67b7bd6348e345cddf9035f7f51 [0,2,0,0,0,0|1,0,1]=4 3589 B9R0.2 CC#CCNCCC(=O)O 131bf136c72ef6e324723e1b324707ae [0,2,0,0,0,0|0,0,1]=3 3590 B9R0.2 CC#CCOCCC(=O)C e76a7e30c29f6f089c48b0c3f868f2dc [0,2,0,0,0,0|1,0,1]=4 3591 B9R0.2 CC#CCOCCC(=O)N df127a1b63c7f132a7dbab5c374a339f [0,2,0,0,0,0|1,0,1]=4 3592 B9R0.2 CC#CCOCCC(=O)O 5ac07d6c3659090ccf8b4b71d487a81f [0,2,0,0,0,0|0,0,1]=3 3593 B9R0.2 CC(=O)CCCCNC#N b99e4a4b37bc351dc1ba90cb4e87757b [0,2,0,0,0,0|1,0,1]=4 3594 B9R0.2 CC(=O)CCCCOCF 0d33928de36c1d78d8eec5a2c9d669de [0,2,0,0,0,0|1,0,0]=3 3595 B9R0.2 CC(=O)CCCNCC#N ff3d6d942589238537f722daefbf213d [0,2,0,0,0,0|1,0,1]=4 3596 B9R0.2 CC(=O)CCCNCCBr 1e005c174e2bef64faf35d14b6a15eea [0,2,0,0,0,0|1,0,0]=3 3597 B9R0.2 CC(=O)CCCNCCF 9a338bc1bad25f0148e24f3766691141 [0,2,0,0,0,0|1,0,0]=3 3598 B9R0.2 CC(=O)CCCNCCI af38eb95e88d6a5b58dd1b2dbaca4ac4 [0,2,0,0,0,0|1,0,0]=3 3599 B9R0.2 CC(=O)CCCNCCO 047c4ea1e2699a309316392bf693b2f3 [0,2,0,0,0,0|1,0,0]=3 3600 B9R0.2 CC(=O)CCCNCCS e726854461e235aec0dd95b143ec9df5 [0,2,0,0,0,0|1,0,0]=3 3601 B9R0.2 CC(=O)CCCOCC#N caf3bb89150326b8ed85d677acf64490 [0,2,0,0,0,0|1,0,1]=4 3602 B9R0.2 CC(=O)CCCOCC=O 7ff95c1b28ea07d48ab7c219ca5a33c9 [0,2,0,0,0,0|1,0,1]=4 3603 B9R0.2 CC(=O)CCCOCCF 8be6dab59aed4b188d6918cf109dee02 [0,2,0,0,0,0|1,0,0]=3 3604 B9R0.2 CC(=O)CCCOCCS 3982bfab81dc2189a86b86f7de9c7da1 [0,2,0,0,0,0|1,0,0]=3 3605 B9R0.2 CC(=O)CCNCCC#N c31cd27b094f002c29d8712160ff7749 [0,2,0,0,0,0|1,0,1]=4 3606 B9R0.2 CC(=O)CCNCCCCl 32ce94381c16df5d46d44616cf0bee6a [0,2,0,0,0,0|1,0,0]=3 3607 B9R0.2 CC(=O)CCNCCCO 41ab0e7b58a0373c2b6f1dd023df8651 [0,2,0,0,0,0|1,0,0]=3 3608 B9R0.2 CC(=O)CCNCCON 9bd97024ba9f3f633d947f18f3f9b348 [0,2,0,0,0,0|2,0,0]=4 3609 B9R0.2 CC(=O)CCOCCC#N abcf2575f82c8fd6a857dd87387e2243 [0,2,0,0,0,0|1,0,1]=4 3610 B9R0.2 CC(=O)CCOCCC=O 9224f481da653bff9a4e2ad03dac676e [0,2,0,0,0,0|1,0,1]=4 3611 B9R0.2 CC(=O)CCOCCCF a3645cce14ff471e4950eb3d53ebfd63 [0,2,0,0,0,0|1,0,0]=3 3612 B9R0.2 CC(=O)CCOCCCS 810c89f99c573084959f96ce51de3f91 [0,2,0,0,0,0|1,0,0]=3 3613 B9R0.2 CC(=O)CNCCCC#N 05b19c126e792c52758658329df9a7a5 [0,2,0,0,0,0|1,0,1]=4 3614 B9R0.2 CC(=O)CNCCCC=O 026ef0e39501edf9371f673edca5b759 [0,2,0,0,0,0|1,0,1]=4 3615 B9R0.2 CC(=O)CNCCCCF 43ea4e8083d24c4c3ef19587abf733a4 [0,2,0,0,0,0|1,0,0]=3 3616 B9R0.2 CC(=O)CNCCCCO 96082e5297f4b4820c770800699f2247 [0,2,0,0,0,0|1,0,0]=3 3617 B9R0.2 CC(=O)COCCCC#N fa01b7de97b1d6402f22396109ad9d8d [0,2,0,0,0,0|1,0,1]=4 3618 B9R0.2 CC(=O)COCCCC=O 0d2ce7c0ebccca7ce340f634fa8c3eb5 [0,2,0,0,0,0|1,0,1]=4 3619 B9R0.2 CC(=O)COCCCCF 3914679278dfa87c5ec7633c52c8c323 [0,2,0,0,0,0|1,0,0]=3 3620 B9R0.2 CC(=O)NCCCCC#N 480c9a37c58edee24bbae98d4ead4810 [0,2,0,0,0,0|1,0,1]=4 3621 B9R0.2 CC(=O)NCCCCCCl 9810fdb3b44bef22ae3578265fbb7e47 [0,2,0,0,0,0|1,0,0]=3 3622 B9R0.2 CC(=O)NCCCCCO 6528e540cd36869e25e869b54ef6b7c3 [0,2,0,0,0,0|1,0,0]=3 3623 B9R0.2 CC(=O)NCCCNCF 62bca42e02ab81a45e4ff0c6351abf93 [0,2,0,0,0,0|2,0,0]=4 3624 B9R0.2 CC(=O)NCCCNCO 328911bf7c359f53194dbd7fe75621ee [0,2,0,0,0,0|2,0,0]=4 3625 B9R0.2 CC(=O)NCCCOCF d7af484a45d939e567ed9be2fdfcef29 [0,2,0,0,0,0|2,0,0]=4 3626 B9R0.2 CC(=O)NCCNCCBr 0bc3c8d5066d4aa33943e4b0857cf6c6 [0,2,0,0,0,0|2,0,0]=4 3627 B9R0.2 CC(=O)NCCNCCF e5a148d466ee8bdd46e3f53193cd7c0f [0,2,0,0,0,0|2,0,0]=4 3628 B9R0.2 CC(=O)NCCNCCI 0d9e6b7a4537c1ae78381a1cc3fc3767 [0,2,0,0,0,0|2,0,0]=4 3629 B9R0.2 CC(=O)NCCNCCO bfd2a90f03ebdd248fdc140ab742c195 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.2 CC(=O)NCCNCCS 6c81a4371e671e42fa414011bb868b73 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.2 CC(=O)NCCOCCF 0973cce223af140d06d4871f0bda3943 [0,2,0,0,0,0|2,0,0]=4 3632 B9R0.2 CC(=O)NCCOCCO 57d4166bc7f64eeb4fe6b2614e2e763f [0,2,0,0,0,0|2,0,0]=4 3633 B9R0.2 CC(=O)NCCOCCS fc352a6fdb39855a43a3d0ad8c15f379 [0,2,0,0,0,0|2,0,0]=4 3634 B9R0.2 CC(=O)NCCSCCO 0bd987c0ecd20e315a5e853d68c36be8 [0,2,0,0,0,0|2,0,0]=4 3635 B9R0.2 CC(=O)NCOCCCF deaf5b1d0ef27ef962c2ca811a35a90c [0,2,0,0,0,0|2,0,0]=4 3636 B9R0.2 CC(=O)NCOCCCS d023d019387fabb31bb318524e9f4455 [0,2,0,0,0,0|2,0,0]=4 3637 B9R0.2 CC(=O)OCCCOCF 839300b4a23ae7f13d770824ad5ba603 [0,2,0,0,0,0|2,0,0]=4 3638 B9R0.2 CC(=O)OCCNCCBr 86e70651e2ef68f3f2552b68c9fd9535 [0,2,0,0,0,0|2,0,0]=4 3639 B9R0.2 CC(=O)OCCNCCF bec963d44f70641aefa68f79b9e9f243 [0,2,0,0,0,0|2,0,0]=4 3640 B9R0.2 CC(=O)OCCNCCI 512fc7b78f65a98aaa9b5a24a55dd29e [0,2,0,0,0,0|2,0,0]=4 3641 B9R0.2 CC(=O)OCCNCCO fbc6a9b22162aa146956efcd3fed83de [0,2,0,0,0,0|2,0,0]=4 3642 B9R0.2 CC(=O)OCCNCCS 0d342b6bb6a97266d2b38620542a908c [0,2,0,0,0,0|2,0,0]=4 3643 B9R0.2 CC(=O)OCCOCCF 5233cd269967a92f3e4bf92bf7bbcb9d [0,2,0,0,0,0|2,0,0]=4 3644 B9R0.2 CC(=O)OCCOCCS 63ea2c4adc5d14c13c2d8bc53161cf6c [0,2,0,0,0,0|2,0,0]=4 3645 B9R0.2 CC(=O)OCNCCCCl 4c34a9d20da691b9859482fc9219ac0e [0,2,0,0,0,0|2,0,0]=4 3646 B9R0.2 CC(=O)OCNCCCO 89aaf0a95b5cea62d4321235936deeff [0,2,0,0,0,0|2,0,0]=4 3647 B9R0.2 CC(=O)OCOCCCF 2bfb3b9762b06c6017d0cd676ab47db2 [0,2,0,0,0,0|2,0,0]=4 3648 B9R0.2 CC(=O)OCOCCCS 3586e68ace2929307ff5b4a00f63eae7 [0,2,0,0,0,0|2,0,0]=4 3649 B9R0.2 CC(=O)SCCCOCF ecb8a4614547fadbca0fb1f1162b5bb0 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.2 CC(=O)SCCNCCBr 28247f14417b5defeb7e6bdd7dd5021d [0,2,0,0,0,0|2,0,0]=4 3651 B9R0.2 CC(=O)SCCNCCF 835856e3f2db7662391fc6484f38c8cb [0,2,0,0,0,0|2,0,0]=4 3652 B9R0.2 CC(=O)SCCNCCI fcdbc2d86c2b5cb0212add9d1e2bb2ea [0,2,0,0,0,0|2,0,0]=4 3653 B9R0.2 CC(=O)SCCNCCO f793beb03d64f0dfcb25ac2a3004ffc4 [0,2,0,0,0,0|2,0,0]=4 3654 B9R0.2 CC(=O)SCCNCCS a8b4ffd28b3fdb169094ab15c01c2bf5 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.2 CC(=O)SCCOCCF 97f7396d15109ed2126bfd23c7da33fa [0,2,0,0,0,0|2,0,0]=4 3656 B9R0.2 CC(=O)SCCOCCS 749ecc917cc404f091b4a3e262baed35 [0,2,0,0,0,0|2,0,0]=4 3657 B9R0.2 CC(O)CCCNCCBr 846a80d7bd351c20925246d05170fa0a [0,2,0,0,0,0|1,0,1]=4 3658 B9R0.2 CC(O)CCCNCCF c8e3887a2439ccb3592fe170015fe6da [0,2,0,0,0,0|1,0,1]=4 3659 B9R0.2 CC(O)CCCNCCI d049963d4683c730c11fc2ac87702d47 [0,2,0,0,0,0|1,0,1]=4 3660 B9R0.2 CC(O)CCCNCCO 0303877d92750e8a64756316fc4bb9e6 [0,2,0,0,0,0|1,0,1]=4 3661 B9R0.2 CC(O)CCCNCCS c6438b2d80c9f6ff85d85ecf0e281737 [0,2,0,0,0,0|1,0,1]=4 3662 B9R0.2 CC(O)CCNCCCCl 0a32bed6279f094ef9401ca250c5ffa2 [0,2,0,0,0,0|1,0,1]=4 3663 B9R0.2 CC(O)CCNCCCF 9569faec1da967f7c66c5e0a60d104de [0,2,0,0,0,0|1,0,1]=4 3664 B9R0.2 CC(O)CCNCCCO 87acb0957134460d35e20a94643a56a5 [0,2,0,0,0,0|1,0,1]=4 3665 B9R0.2 CC(O)CCNCCCS c89ad0b413e9833571309ce26aa67448 [0,2,0,0,0,0|1,0,1]=4 3666 B9R0.2 CC(O)CNCCCCCl 65186c06faac50c9aeb9e91831d3a163 [0,2,0,0,0,0|1,0,1]=4 3667 B9R0.2 CC(O)CNCCCCF b87c1fb327b802173c8612462c330132 [0,2,0,0,0,0|1,0,1]=4 3668 B9R0.2 CC(O)CNCCCCO ce2dc7373bb7b816c2a9a5d12a2b9a76 [0,2,0,0,0,0|1,0,1]=4 3669 B9R0.2 CC(O)CNCCCCS 730d016fdad462f5c9daec1e7d2aec50 [0,2,0,0,0,0|1,0,1]=4 3670 B9R0.2 CC/C=C/CNCC(=O)C bb03016005aff92d60de25a5fb2dde7e [0,2,0,0,0,0|1,0,1]=4 3671 B9R0.2 CC/C=C/CNCC(=O)N 48059c8d89eacab83d2ef80706455f01 [0,2,0,0,0,0|1,0,1]=4 3672 B9R0.2 CC/C=C/CNCC(=O)O 608fca61d210069d4fe6cf3ba8d9b082 [0,2,0,0,0,0|0,0,1]=3 3673 B9R0.2 CC/C=C/COCC(=O)C 5aaebc977bb6e5ae3b7dabe2f590edd8 [0,2,0,0,0,0|1,0,1]=4 3674 B9R0.2 CC/C=C/COCC(=O)N 713c914f23ecec665a855260c3f6940a [0,2,0,0,0,0|1,0,1]=4 3675 B9R0.2 CC/C=C/COCC(=O)O 47aadf9bd1a62be7751b0a2fca80ef8b [0,2,0,0,0,0|0,0,1]=3 3676 B9R0.2 CC/C=C/COCS(=O)O b0cb372b04d2defa6fc2884893f1c842 [0,2,0,0,0,0|1,0,1]=4 3677 B9R0.2 CC/C=C\COCC(=O)N 52f4757b5a31ccc4a1fcfe8b24404167 [0,2,0,0,0,0|1,0,1]=4 3678 B9R0.2 CC/C=C\COCC(=O)O 21a75a85140d898476b2fb3f38c071e1 [0,2,0,0,0,0|0,0,1]=3 3679 B9R0.2 CC=CCNCCC(=O)C 35fd160582ff98ad73df55f025e71a01 [0,2,0,0,0,0|1,0,1]=4 3680 B9R0.2 CC=CCNCCC(=O)N cf9f0a2d0106defcb5146d803c4dc168 [0,2,0,0,0,0|1,0,1]=4 3681 B9R0.2 CC=CCNCCC(=O)O 5c13e7fcfabbe27240aa9f1486a09b86 [0,2,0,0,0,0|0,0,1]=3 3682 B9R0.2 CC=CCOCCC(=O)C 443b60d752a4c425d5fcb35df4bd4e1f [0,2,0,0,0,0|1,0,1]=4 3683 B9R0.2 CC=CCOCCC(=O)N d78c99ebbe8ef49cc4ff16be18b2d3f9 [0,2,0,0,0,0|1,0,1]=4 3684 B9R0.2 CC=CCOCCC(=O)O 34847ee459642c229d44db8cb0176d10 [0,2,0,0,0,0|0,0,1]=3 3685 B9R0.2 CCC#CCNCC(=O)N 65e479d571798659f338d6f6230f5711 [0,2,0,0,0,0|1,0,1]=4 3686 B9R0.2 CCC#CCOCC(=O)N d2629aaab215be83b0539498e1c6b9ae [0,2,0,0,0,0|1,0,1]=4 3687 B9R0.2 CCC#CCOCC(=O)O abd394d0e091b202a9408b79384836eb [0,2,0,0,0,0|0,0,1]=3 3688 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [0,2,0,0,0,0|1,0,0]=3 3689 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [0,2,0,0,0,0|1,0,0]=3 3690 B9R0.2 CCCCCNCC(=O)N df1b9e1446c7d44676f292e2874ccd31 [0,2,0,0,0,0|1,0,0]=3 3691 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [0,2,0,0,0,0|0,0,0]=2 3692 B9R0.2 CCCCCNCC(C)O 9e9132e8083003550d3545b55a454f7b [0,2,0,0,0,0|1,0,1]=4 3693 B9R0.2 CCCCCNC[C@@H](C)O 089be76a49b8d969c37e3bf761f099cf [0,2,0,0,0,0|1,0,1]=4 3694 B9R0.2 CCCCCNC[C@H](C)O 5a490e8ff74a89416bf9c7c48d9e8ab5 [0,2,0,0,0,0|1,0,1]=4 3695 B9R0.2 CCCCCNC[N+](=O)[O-] 4ffec53d6d65ed1a475cd4f2a3234fbe [0,2,0,0,0,0|1,0,1]=4 3696 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [0,2,0,0,0,0|1,0,0]=3 3697 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [0,2,0,0,0,0|1,0,0]=3 3698 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [0,2,0,0,0,0|0,0,0]=2 3699 B9R0.2 CCCCCOCC(=S)N 2157e345254c9ce27b0fedd6edd60b5b [0,2,0,0,0,0|1,1,0]=4 3700 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [0,2,0,0,0,0|1,0,0]=3 3701 B9R0.2 CCCCCOC[N+](=O)[O-] 7029c11439826706543058f3e0154ee4 [0,2,0,0,0,0|1,0,1]=4 3702 B9R0.2 CCCCNC/C=C(/C)\I 96ab734b7ce21482610c71b6ec7a0087 [0,2,0,0,0,0|2,0,0]=4 3703 B9R0.2 CCCCNC/C=C(\C)/Cl cc815245be4b93926fd334c586089c95 [0,2,0,0,0,0|2,0,0]=4 3704 B9R0.2 CCCCNCC=C(C)C fecf7e997f5d1af1b094a02b011b0ef1 [0,2,0,0,0,0|2,0,0]=4 3705 B9R0.2 CCCCNCC=C(C)Cl 2e3d05b023f03cd9b003c981af64ea51 [0,2,0,0,0,0|2,0,0]=4 3706 B9R0.2 CCCCNCC=C(C)I 30884b68d06af4a4b3dead6018681c13 [0,2,0,0,0,0|2,0,0]=4 3707 B9R0.2 CCCCNCC=C(Cl)Cl c4cb9460d98eafb7c67ffb885b4343a6 [0,2,0,0,0,0|2,0,0]=4 3708 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [0,2,0,0,0,0|1,0,0]=3 3709 B9R0.2 CCCCNCCC(=O)N 2d98b6dd492f5bb47b303e933495165d [0,2,0,0,0,0|1,0,0]=3 3710 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [0,2,0,0,0,0|0,0,0]=2 3711 B9R0.2 CCCCNCCC(=S)N 7a74028cfb8507b34fa2a8c0010aaa96 [0,2,0,0,0,0|1,1,0]=4 3712 B9R0.2 CCCCNCCC(C)O a3707e567169e0cb89818b82dd0db2ad [0,2,0,0,0,0|1,0,1]=4 3713 B9R0.2 CCCCNCCS(=O)C ae9a13c0fc24ec4aec99b86861ef96f8 [0,2,0,0,0,0|2,0,0]=4 3714 B9R0.2 CCCCNCCS(=O)O d1550f302fc03798fde8c440dd73fdb7 [0,2,0,0,0,0|1,0,0]=3 3715 B9R0.2 CCCCNCC[C@@H](C)O b4194f7259d3966751a8302ac0afc5f6 [0,2,0,0,0,0|1,0,1]=4 3716 B9R0.2 CCCCNCC[C@H](C)O 2bd9e0d91881457396737c14485be5ce [0,2,0,0,0,0|1,0,1]=4 3717 B9R0.2 CCCCNCOC(=O)C f747ae8d75ae5077cb457c21af32c3d4 [0,2,0,0,0,0|1,0,0]=3 3718 B9R0.2 CCCCNCSC(=O)N c68e80692e27dc4bcd1af702e7ea36a7 [0,2,0,0,0,0|1,0,0]=3 3719 B9R0.2 CCCCOC/C=C(/C)\Cl 960fdaf47adbe5ca8fe9706c44ec1044 [0,2,0,0,0,0|2,0,0]=4 3720 B9R0.2 CCCCOC/C=C(/C)\I b03bc4260bec39be9cf79aca08c38129 [0,2,0,0,0,0|2,0,0]=4 3721 B9R0.2 CCCCOC/C=C(\C)/Cl 743307406907de86af1ae076bd836ab4 [0,2,0,0,0,0|2,0,0]=4 3722 B9R0.2 CCCCOCC=C(C)C 761455161b359ecdf381fb2c7e2674d3 [0,2,0,0,0,0|2,0,0]=4 3723 B9R0.2 CCCCOCC=C(C)Cl 48d4f013d4d198147254b8b64c0376c6 [0,2,0,0,0,0|2,0,0]=4 3724 B9R0.2 CCCCOCC=C(C)I b84310eb2159cdbf6c2e4af756a6961c [0,2,0,0,0,0|2,0,0]=4 3725 B9R0.2 CCCCOCC=C(Cl)Cl d0b56f5b497e46da48877a2a743f5f62 [0,2,0,0,0,0|2,0,0]=4 3726 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [0,2,0,0,0,0|1,0,0]=3 3727 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [0,2,0,0,0,0|1,0,0]=3 3728 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [0,2,0,0,0,0|0,0,0]=2 3729 B9R0.2 CCCCOCCS(=O)C c23ab1353236b7d3fb5d5b7810b75cb1 [0,2,0,0,0,0|2,0,0]=4 3730 B9R0.2 CCCCOCC[N+](=O)[O-] 449ae182546390483eb4b610198267f3 [0,2,0,0,0,0|1,0,1]=4 3731 B9R0.2 CCCCOCNC(=O)C c90275af9c3de9eb05be63b1efa3b4d9 [0,2,0,0,0,0|1,0,0]=3 3732 B9R0.2 CCCCOCNC(=O)N c8570fe5b0fca07c49ea855c2c714e28 [0,2,0,0,0,0|1,0,0]=3 3733 B9R0.2 CCCCOCOC(=O)C 52b453d7294c4b6acb8f00c70315374a [0,2,0,0,0,0|1,0,0]=3 3734 B9R0.2 CCCCOCSC(=O)N d1d81793d91d56bfe6b40ff2fdeafcee [0,2,0,0,0,0|1,0,0]=3 3735 B9R0.2 CCCNC/C=C/C(=O)O 2dd1b47b43d39c78f5fbca7c7571ff45 [0,2,0,0,0,0|0,0,1]=3 3736 B9R0.2 CCCNCC#CC(=O)N e74eaee5e1f71e6fbf24a351a3deeba4 [0,2,0,0,0,0|1,0,1]=4 3737 B9R0.2 CCCNCC#CC(=O)O a4ffabb1fc463a4c83e7684cb826c3e8 [0,2,0,0,0,0|0,0,1]=3 3738 B9R0.2 CCCNCC=CC(=O)O f6d198a3c4819b4eb753a38590475072 [0,2,0,0,0,0|0,0,1]=3 3739 B9R0.2 CCCNCCC=C(C)C ced8054c93d3346fab5137bb99fb0f73 [0,2,0,0,0,0|2,0,0]=4 3740 B9R0.2 CCCNCCC=C(F)F 3981bbaf3e3910f0824696327c10e0cb [0,2,0,0,0,0|2,0,0]=4 3741 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [0,2,0,0,0,0|1,0,0]=3 3742 B9R0.2 CCCNCCCC(=O)N ad3cbfcffc5634ad25d1d1d605d0c75d [0,2,0,0,0,0|1,0,0]=3 3743 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [0,2,0,0,0,0|0,0,0]=2 3744 B9R0.2 CCCNCCCC(C)O 6371182df2267961651c217c5a9d8ec2 [0,2,0,0,0,0|1,0,1]=4 3745 B9R0.2 CCCNCCCS(=O)C bf3c6efa073e1467345d7cbddc3f20fe [0,2,0,0,0,0|2,0,0]=4 3746 B9R0.2 CCCNCCC[N+](=O)[O-] c841f283b784f56925ce8adc6d0317ec [0,2,0,0,0,0|1,0,1]=4 3747 B9R0.2 CCCNCCNC(=O)C 8ec9c538248c1278a7a78c753f9b558d [0,2,0,0,0,0|1,0,0]=3 3748 B9R0.2 CCCNCCNC(=O)N eba9cf87c3d4b4412b3b52d629da0618 [0,2,0,0,0,0|1,0,0]=3 3749 B9R0.2 CCCNCCNC(=S)N 1f8f9d9753f751fa31be35918f676917 [0,2,0,0,0,0|1,1,0]=4 3750 B9R0.2 CCCNCCOC(=O)C 1f7e1f87180a6b7613488d41ed0bd627 [0,2,0,0,0,0|1,0,0]=3 3751 B9R0.2 CCCNCCSC(=O)C 9a734654dda6d6cb5b5c8675b98c7ffb [0,2,0,0,0,0|1,0,0]=3 3752 B9R0.2 CCCOC/C=C/C(=O)O 687938439e6711299f4c9234a05e83ff [0,2,0,0,0,0|0,0,1]=3 3753 B9R0.2 CCCOCC#CC(=O)O 973b316b9915a74f4553e52fb7cc188e [0,2,0,0,0,0|0,0,1]=3 3754 B9R0.2 CCCOCC=CC(=O)O 08e8672bb8b818ca24be0e027803b17f [0,2,0,0,0,0|0,0,1]=3 3755 B9R0.2 CCCOCCC=C(C)C ff6fc9b7b0a2446d5a1ca048cc1d0112 [0,2,0,0,0,0|2,0,0]=4 3756 B9R0.2 CCCOCCC=C(F)F b6ba6e0b93a8e2b72e4e1e6aa2b1e736 [0,2,0,0,0,0|2,0,0]=4 3757 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [0,2,0,0,0,0|1,0,0]=3 3758 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [0,2,0,0,0,0|1,0,0]=3 3759 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [0,2,0,0,0,0|0,0,0]=2 3760 B9R0.2 CCCOCCC[N+](=O)[O-] 04dd13287e8e1e4ca4b0686285155fd0 [0,2,0,0,0,0|1,0,1]=4 3761 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [0,2,0,0,0,0|1,0,0]=3 3762 B9R0.2 CCCOCCNC(=O)N de0f07e5faa70e06a173f52c30b9f0f6 [0,2,0,0,0,0|1,0,0]=3 3763 B9R0.2 CCCOCCNC(=S)N 16d02dff3ac7ad964ad82d0352824645 [0,2,0,0,0,0|1,1,0]=4 3764 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [0,2,0,0,0,0|1,0,0]=3 3765 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [0,2,0,0,0,0|1,0,0]=3 3766 B9R0.2 CCNCCCCC(=O)N e58565c8abd8e5ef4e9f04f253e40e9c [0,2,0,0,0,0|1,0,0]=3 3767 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [0,2,0,0,0,0|0,0,0]=2 3768 B9R0.2 CCNCCCNC(=O)C 81f3181e8e4443de7d578da2748320f4 [0,2,0,0,0,0|1,0,0]=3 3769 B9R0.2 CCNCCOCC(=O)O c0319d2f7183e13649b4e14cf4dc44f0 [0,2,0,0,0,0|0,0,0]=2 3770 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [0,2,0,0,0,0|0,0,0]=2 3771 B9R0.2 CCOCCC#CC(=O)O 5ed97ccd5b3164e44f8f6133f43dc81c [0,2,0,0,0,0|0,0,1]=3 3772 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [0,2,0,0,0,0|1,0,0]=3 3773 B9R0.2 CCOCCCCC(=O)N 6c8808518c393835c53b3e5d4f87702a [0,2,0,0,0,0|1,0,0]=3 3774 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [0,2,0,0,0,0|0,0,0]=2 3775 B9R0.2 CCOCCCC[N+](=O)[O-] a85cb5ce9cacb21db238c9921387a33e [0,2,0,0,0,0|1,0,1]=4 3776 B9R0.2 CCOCCCNC(=O)C c5dadd69f1df46bcde7d3d147d2b830b [0,2,0,0,0,0|1,0,0]=3 3777 B9R0.2 CCOCCCOC(=O)C 521ac746c4773e46268f3042c9c9e91c [0,2,0,0,0,0|1,0,0]=3 3778 B9R0.2 CCOCCCO[N+](=O)[O-] 671da1fb10fc3d567c6bf28af17e030a [0,2,0,0,0,0|1,0,1]=4 3779 B9R0.2 CCOCCCSC(=O)C c7c25084ef75859ffb4a847bdfcca873 [0,2,0,0,0,0|1,0,0]=3 3780 B9R0.2 CCOCCNCC(=O)C c70f97bf0fb0c82014fed6cd7123cc8c [0,2,0,0,0,0|1,0,0]=3 3781 B9R0.2 CCOCCNCC(=O)N 3b5f517f3d8c2ef294352600c8c9b118 [0,2,0,0,0,0|1,0,0]=3 3782 B9R0.2 CCOCCNCC(=O)O fe73b6ce227ade0e3d2aa05ce85c310f [0,2,0,0,0,0|0,0,0]=2 3783 B9R0.2 CCOCCNCC(C)O 611c0ca058030afcafaa92e361f179d4 [0,2,0,0,0,0|1,0,1]=4 3784 B9R0.2 CCOCCNC[C@@H](C)O 6d9cab9a552edc18dd5f7603d3564ae0 [0,2,0,0,0,0|1,0,1]=4 3785 B9R0.2 CCOCCNC[C@H](C)O 223aa1e1127120cb9bd81fef9db0a862 [0,2,0,0,0,0|1,0,1]=4 3786 B9R0.2 CCOCCNC[N+](=O)[O-] 4175c271de284048d160adbc7d65dfb3 [0,2,0,0,0,0|1,0,1]=4 3787 B9R0.2 CCOCCOCC(=O)C f2abab147e228f0c5e3f118094e5ae3e [0,2,0,0,0,0|1,0,0]=3 3788 B9R0.2 CCOCCOCC(=O)N 3ad6244a0d9450d5a5ee70e3e3bc3564 [0,2,0,0,0,0|1,0,0]=3 3789 B9R0.2 CCOCCOCC(=O)O 8e941570ee8b640c0974e53e117ac279 [0,2,0,0,0,0|0,0,0]=2 3790 B9R0.2 CCOCCOCC(=S)N 103575ab75fa8d822aa7f597dd049006 [0,2,0,0,0,0|1,1,0]=4 3791 B9R0.2 CCOCCOCS(=O)O fb882a20738b84ef6449d6e0c5b98fe6 [0,2,0,0,0,0|1,0,0]=3 3792 B9R0.2 CCOCCOC[N+](=O)[O-] e62aef0441a3fc8f97d6d061db537a58 [0,2,0,0,0,0|1,0,1]=4 3793 B9R0.2 CCOCCSCC(=O)N b5b59951777a4ee8ec00ef909fa6de61 [0,2,0,0,0,0|1,0,0]=3 3794 B9R0.2 CCOCNCCC(=O)N 6177828bcdee622faa4bdfda48444dbf [0,2,0,0,0,0|1,0,0]=3 3795 B9R0.2 CCOCNCCC(=O)O bb666c5cb5cf95e40e356d52c764ed2e [0,2,0,0,0,0|0,0,0]=2 3796 B9R0.2 CCOCNCCC(=S)N 02e8c7ee947599c82ae0865f0a86cea7 [0,2,0,0,0,0|1,1,0]=4 3797 B9R0.2 CCOCNCCC(C)O 3138bbeaedff2fa3dde2a5a9e1e37e46 [0,2,0,0,0,0|1,0,1]=4 3798 B9R0.2 CCOCNCCS(=O)C aefadde1b8f1947b5e4d5f729c1077f8 [0,2,0,0,0,0|2,0,0]=4 3799 B9R0.2 CCOCNCCS(=O)O f8f861d97ea8aa233c72f81ebad77555 [0,2,0,0,0,0|1,0,0]=3 3800 B9R0.2 CCOCNCC[C@@H](C)O 0c1a73cdbcd329869c52458b6af4331f [0,2,0,0,0,0|1,0,1]=4 3801 B9R0.2 CCOCNCC[C@H](C)O 003c7a0673a396cd2acd25751a1511c1 [0,2,0,0,0,0|1,0,1]=4 3802 B9R0.2 CCOCOCCC(=O)C 7c05b5d301547a7a379eefc6a013d22c [0,2,0,0,0,0|1,0,0]=3 3803 B9R0.2 CCOCOCCC(=O)N 3d7e10bb5e2a2f79b8dd828c61ceb02d [0,2,0,0,0,0|1,0,0]=3 3804 B9R0.2 CCOCOCCC(=O)O 799c8960883074d9b3c3c270cb41a5e2 [0,2,0,0,0,0|0,0,0]=2 3805 B9R0.2 CCOCOCCS(=O)C f04de07af9056c7493e646cd0008b732 [0,2,0,0,0,0|2,0,0]=4 3806 B9R0.2 CCOCOCC[N+](=O)[O-] 5ae05fb500bf5821f315ec55599a34e8 [0,2,0,0,0,0|1,0,1]=4 3807 B9R0.2 CCOCOCNC(=O)C 38793e0f0c107944ea14ab71c800590b [0,2,0,0,0,0|2,0,0]=4 3808 B9R0.2 CCOCOCNC(=O)N 28e1c9c579e5e1a6385c8449366f4b0f [0,2,0,0,0,0|2,0,0]=4 3809 B9R0.2 CCSCCNCC(=O)C fad72d0b95c2a13f990a448abba15424 [0,2,0,0,0,0|1,0,0]=3 3810 B9R0.2 CCSCCNCC(=O)N bccfd35d4715d090e7874f4dd415c742 [0,2,0,0,0,0|1,0,0]=3 3811 B9R0.2 CCSCCNCC(=O)O d9a8c386d66ab795d4b3734359c61f59 [0,2,0,0,0,0|0,0,0]=2 3812 B9R0.2 CCSCCNCC(C)O 255c79b1ecfe5100a12c3f45792442aa [0,2,0,0,0,0|1,0,1]=4 3813 B9R0.2 CCSCCNC[C@@H](C)O dce2c609bf5c9629ce4288427c7c1b86 [0,2,0,0,0,0|1,0,1]=4 3814 B9R0.2 CCSCCNC[C@H](C)O 57cfac9b9d430cd163d92566fb0015bb [0,2,0,0,0,0|1,0,1]=4 3815 B9R0.2 CCSCCNC[N+](=O)[O-] 1ca4c5bb5dce9d5271b633e8c10d3fb3 [0,2,0,0,0,0|1,0,1]=4 3816 B9R0.2 CCSCCOCC(=O)C 3e35f56d483cc24657d76c6dcc48c959 [0,2,0,0,0,0|1,0,0]=3 3817 B9R0.2 CCSCCOCC(=O)N 0972d7ab007eadd2c654a3805821636b [0,2,0,0,0,0|1,0,0]=3 3818 B9R0.2 CCSCCOCC(=O)O 7dcca9bd15b343f0086a7f56a35270d1 [0,2,0,0,0,0|0,0,0]=2 3819 B9R0.2 CCSCCOCC(=S)N 38236435aacc9403c87c58a73275fb72 [0,2,0,0,0,0|1,1,0]=4 3820 B9R0.2 CCSCCOCS(=O)O e5bd6861eda4deca7d76ab102e54b1cd [0,2,0,0,0,0|1,0,0]=3 3821 B9R0.2 CCSCCOC[N+](=O)[O-] 4067a3c579700f15d131efac1237ea82 [0,2,0,0,0,0|1,0,1]=4 3822 B9R0.2 COCCCCNC(=O)C 4f652cda1775947bb169784843d0beab [0,2,0,0,0,0|1,0,0]=3 3823 B9R0.2 COCCCNCC(=O)C e4b3d782ce022664507161af9801f346 [0,2,0,0,0,0|1,0,0]=3 3824 B9R0.2 COCCCNCC(=O)N 253b9b2bf64092c65099b8983595bf88 [0,2,0,0,0,0|1,0,0]=3 3825 B9R0.2 COCCCNCC(=O)O bb99ed747e50bacf9b72c7121db02d06 [0,2,0,0,0,0|0,0,0]=2 3826 B9R0.2 COCCCNCC(C)O 3fa2a5428f19c5ffc20a47da566fdcc9 [0,2,0,0,0,0|1,0,1]=4 3827 B9R0.2 COCCCNC[C@@H](C)O 19ff1dcbdf3c48021f5a90586903a0ef [0,2,0,0,0,0|1,0,1]=4 3828 B9R0.2 COCCCNC[C@H](C)O d9eaf91d3d886af5c13acd54dbb750ef [0,2,0,0,0,0|1,0,1]=4 3829 B9R0.2 COCCCNC[N+](=O)[O-] 6c6f97ec06277440e01a9ee08655bfca [0,2,0,0,0,0|1,0,1]=4 3830 B9R0.2 COCCCOCC(=O)C b6c57de0e6612bd98a91c89c61f27b6a [0,2,0,0,0,0|1,0,0]=3 3831 B9R0.2 COCCCOCC(=O)N 5aa082b1cc6858ba28beda9b2b4239f2 [0,2,0,0,0,0|1,0,0]=3 3832 B9R0.2 COCCCOCC(=O)O ec52a61a98845b6bf28deaf0b8243269 [0,2,0,0,0,0|0,0,0]=2 3833 B9R0.2 COCCCOCC(=S)N b976529c229d76456887f6939753ca43 [0,2,0,0,0,0|1,1,0]=4 3834 B9R0.2 COCCCOCS(=O)O 30a0c66debfd98ba2944bef18623071e [0,2,0,0,0,0|1,0,0]=3 3835 B9R0.2 COCCCOC[N+](=O)[O-] 4c3b8e29bc16ba3712fc93feb872d9e1 [0,2,0,0,0,0|1,0,1]=4 3836 B9R0.2 COCCNCCC(=O)C cc50741b4bcb596f77bf55fe047b2330 [0,2,0,0,0,0|1,0,0]=3 3837 B9R0.2 COCCNCCC(=O)N 914219fcbf815befada20a4804c3ce40 [0,2,0,0,0,0|1,0,0]=3 3838 B9R0.2 COCCNCCC(=O)O 30d6a6eb8d13e89f1e6baa6cbd54590b [0,2,0,0,0,0|0,0,0]=2 3839 B9R0.2 COCCNCCC(=S)N 3664a9179cecc8b38de918a3eef9e3a2 [0,2,0,0,0,0|1,1,0]=4 3840 B9R0.2 COCCNCCC(C)O 5a263a3731f96a2126baacd5857d34eb [0,2,0,0,0,0|1,0,1]=4 3841 B9R0.2 COCCNCCS(=O)C e07673a803a60e97b3f99b6405f40904 [0,2,0,0,0,0|2,0,0]=4 3842 B9R0.2 COCCNCCS(=O)O 0633dfd0f3b2fc17d4f5fa9f8817f72d [0,2,0,0,0,0|1,0,0]=3 3843 B9R0.2 COCCNCC[C@@H](C)O f612119892ead8b98da5c14432e134c2 [0,2,0,0,0,0|1,0,1]=4 3844 B9R0.2 COCCNCC[C@H](C)O a9e2983c33d9a1a4326532535161c921 [0,2,0,0,0,0|1,0,1]=4 3845 B9R0.2 COCCNCOC(=O)C 7c792011f968ec1a1d9667b50dc4d640 [0,2,0,0,0,0|2,0,0]=4 3846 B9R0.2 COCCNCSC(=O)N 6e0c1158d779849192578c4315d1632c [0,2,0,0,0,0|2,0,0]=4 3847 B9R0.2 COCCOCCC(=O)C 42b719221818bf1f4cbfe81de3e7676a [0,2,0,0,0,0|1,0,0]=3 3848 B9R0.2 COCCOCCC(=O)N b528d747387ce99b70a79f06142776d7 [0,2,0,0,0,0|1,0,0]=3 3849 B9R0.2 COCCOCCC(=O)O 25825b2e7473038d51278d15c2f9a50b [0,2,0,0,0,0|0,0,0]=2 3850 B9R0.2 COCCOCCS(=O)C 86bcbfcb08f01b0bfbc64141840f37ac [0,2,0,0,0,0|2,0,0]=4 3851 B9R0.2 COCCOCC[N+](=O)[O-] 8b567efe8f609ac1ae9aa930e20db26f [0,2,0,0,0,0|1,0,1]=4 3852 B9R0.2 COCCOCNC(=O)C 6d3810fe234d43670afe9476c6ccf397 [0,2,0,0,0,0|2,0,0]=4 3853 B9R0.2 COCCOCNC(=O)N 13765b7ac1b3e526c6031cc120f0e07e [0,2,0,0,0,0|2,0,0]=4 3854 B9R0.2 COCCOCOC(=O)C 3c0c9969f08b445ef676eb92f534751f [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.2 COCCOCSC(=O)N b520f5d19f9fd890441b1ccf27837fd2 [0,2,0,0,0,0|2,0,0]=4 3856 B9R0.2 COCNC/C=C/C(=O)O 0fa427a6486acbb4d373241fedb0a10e [0,2,0,0,0,0|0,0,2]=4 3857 B9R0.2 COCNCC#CC(=O)O 2d7890b6633f44ec9c2455a9abf7b600 [0,2,0,0,0,0|0,0,2]=4 3858 B9R0.2 COCNCC=CC(=O)O 6df88093ebd1ff3e1f049de99a96ca09 [0,2,0,0,0,0|0,0,2]=4 3859 B9R0.2 COCNCCCC(=O)N 143230c9cc7fa1e72cc2f06c39df6405 [0,2,0,0,0,0|1,0,0]=3 3860 B9R0.2 COCNCCCC(=O)O 64bd770f694cab9d693114f7ad1b17c7 [0,2,0,0,0,0|0,0,0]=2 3861 B9R0.2 COCNCCCS(=O)C e17e29574333d704c9897ae7e2793f42 [0,2,0,0,0,0|2,0,0]=4 3862 B9R0.2 COCNCCNC(=O)C b12b12639159c20bcc2d1c1086116477 [0,2,0,0,0,0|2,0,0]=4 3863 B9R0.2 COCOC/C=C/C(=O)O 54f81693b4cd346c35998d208561a80c [0,2,0,0,0,0|0,0,2]=4 3864 B9R0.2 COCOCC#CC(=O)O 666a8309680cb3811e622a1133a23c12 [0,2,0,0,0,0|0,0,2]=4 3865 B9R0.2 COCOCC=CC(=O)O ad57febf4e8b32f0fa5c10f2425d4372 [0,2,0,0,0,0|0,0,2]=4 3866 B9R0.2 COCOCCCC(=O)C f43054086d226c36ed78969c345787dd [0,2,0,0,0,0|1,0,0]=3 3867 B9R0.2 COCOCCCC(=O)N e23220792a5c66edc9d24bfa8410fe19 [0,2,0,0,0,0|1,0,0]=3 3868 B9R0.2 COCOCCC[N+](=O)[O-] 0492055c711e9ae5acd7659d4d4f707e [0,2,0,0,0,0|1,0,1]=4 3869 B9R0.2 COCOCCNC(=O)C 3efb8e5988f380a09e447f8453fc669b [0,2,0,0,0,0|2,0,0]=4 3870 B9R0.2 COCOCCNC(=O)N a7688870d978d2b267f34650c562056e [0,2,0,0,0,0|2,0,0]=4 3871 B9R0.2 COCOCCOC(=O)C c1d21b4657b103686de2e70024d8053c [0,2,0,0,0,0|2,0,0]=4 3872 B9R0.2 COCOCCSC(=O)C 08a4a36a589b662a246281790c16f756 [0,2,0,0,0,0|2,0,0]=4 3873 B9R0.2 CS(=O)CCCNCCF a7f5f9f6004c775a6d5f7e619c031a1e [0,2,0,0,0,0|2,0,0]=4 3874 B9R0.2 CS(=O)CCCNCCO 475661cce2b0f0a50ea2d5e882b9de0d [0,2,0,0,0,0|2,0,0]=4 3875 B9R0.2 CS(=O)CCCNCCS 17ab50e4687ebdd306981c4446e2983c [0,2,0,0,0,0|2,0,0]=4 3876 B9R0.2 CS(=O)CCNCCCCl a6172a204190f51c76e8b9d42b8ab81e [0,2,0,0,0,0|2,0,0]=4 3877 B9R0.2 CS(=O)CCNCCCF 1d8ca03ccc8ee39c7db5f429eccc93cf [0,2,0,0,0,0|2,0,0]=4 3878 B9R0.2 CS(=O)CCNCCCO d14cc530c45b1a203d3d3eb1e9f81a62 [0,2,0,0,0,0|2,0,0]=4 3879 B9R0.2 CS(=O)CCNCCCS b689e8fdd1abf99e85c01e3af8c3b061 [0,2,0,0,0,0|2,0,0]=4 3880 B9R0.2 CS(=O)CCOCCCF b2d20f8c00cb33511ad5dd154685d73b [0,2,0,0,0,0|2,0,0]=4 3881 B9R0.2 CS(=O)CCOCCCS 34f7c62298978ab6289d98144f16f05f [0,2,0,0,0,0|2,0,0]=4 3882 B9R0.2 CSCCCCNC(=O)C fe724d5efdffb6641eb31ec001ed77cf [0,2,0,0,0,0|1,0,0]=3 3883 B9R0.2 CSCCCNCC(=O)C 7623274f83bea32ce27bf9f8465c7872 [0,2,0,0,0,0|1,0,0]=3 3884 B9R0.2 CSCCCNCC(=O)N c17d1c1629e4c317e4eed7952120063f [0,2,0,0,0,0|1,0,0]=3 3885 B9R0.2 CSCCCNCC(=O)O 1ee764be5870ee9d6a465670ba4c3b41 [0,2,0,0,0,0|0,0,0]=2 3886 B9R0.2 CSCCCNCC(C)O 70ba937df7d6587395a5fab866fc28ac [0,2,0,0,0,0|1,0,1]=4 3887 B9R0.2 CSCCCNC[C@@H](C)O ec89de1321ce8438e9244c3e8270c36c [0,2,0,0,0,0|1,0,1]=4 3888 B9R0.2 CSCCCNC[C@H](C)O 475d2e539a8bb49c6c6a6ef930e9a225 [0,2,0,0,0,0|1,0,1]=4 3889 B9R0.2 CSCCCNC[N+](=O)[O-] eaa3cc7c01d90353a32c09d980a4b3ae [0,2,0,0,0,0|1,0,1]=4 3890 B9R0.2 CSCCCOCC(=O)C 5454163a2a07a4d14ee03189c1897a43 [0,2,0,0,0,0|1,0,0]=3 3891 B9R0.2 CSCCCOCC(=O)N 2e0057c06fe69bc4ebfba942e29937f8 [0,2,0,0,0,0|1,0,0]=3 3892 B9R0.2 CSCCCOCC(=O)O eaeded9547b84d8ef5e124eca9ee4fd2 [0,2,0,0,0,0|0,0,0]=2 3893 B9R0.2 CSCCCOCC(=S)N a2b0801751a8138d1ac189d672136fd8 [0,2,0,0,0,0|1,1,0]=4 3894 B9R0.2 CSCCCOCS(=O)O ce4c6dcc5702edc8a1f1476bdf7c2f85 [0,2,0,0,0,0|1,0,0]=3 3895 B9R0.2 CSCCCOC[N+](=O)[O-] 641c7f961e8534e86618aea7c2c1cd23 [0,2,0,0,0,0|1,0,1]=4 3896 B9R0.2 CSCCNCCC(=O)C 9db4a522309238a4c3a74c333f9036b6 [0,2,0,0,0,0|1,0,0]=3 3897 B9R0.2 CSCCNCCC(=O)N fac02100e52f701d38c4b7d7284e2345 [0,2,0,0,0,0|1,0,0]=3 3898 B9R0.2 CSCCNCCC(=O)O 808165acc4fc0c35acf13aa79babe8b9 [0,2,0,0,0,0|0,0,0]=2 3899 B9R0.2 CSCCNCCC(=S)N 4fef1bf71d23c53fe5d79854811db0b2 [0,2,0,0,0,0|1,1,0]=4 3900 B9R0.2 CSCCNCCC(C)O 4a4c316f91a0372beec10a189d68dd5b [0,2,0,0,0,0|1,0,1]=4 3901 B9R0.2 CSCCNCCS(=O)C c6a736592b0f693ea813f1641c54e2f8 [0,2,0,0,0,0|2,0,0]=4 3902 B9R0.2 CSCCNCCS(=O)O 99197a60045cf31ddb8e82dcbb474020 [0,2,0,0,0,0|1,0,0]=3 3903 B9R0.2 CSCCNCC[C@@H](C)O 7a799516c179e00cbc9167de39b00a4c [0,2,0,0,0,0|1,0,1]=4 3904 B9R0.2 CSCCNCC[C@H](C)O 186d378f131bc2cabd51a436e26a9ce8 [0,2,0,0,0,0|1,0,1]=4 3905 B9R0.2 CSCCNCOC(=O)C 4a9417d660a2b8f603a487e0613a69d1 [0,2,0,0,0,0|2,0,0]=4 3906 B9R0.2 CSCCNCSC(=O)N a1fd6553d05c66e08ee049d4adcde546 [0,2,0,0,0,0|2,0,0]=4 3907 B9R0.2 CSCCOCCC(=O)C b7c06c5f50bd774c354bac5b4a853359 [0,2,0,0,0,0|1,0,0]=3 3908 B9R0.2 CSCCOCCC(=O)N 260135039720ecae997fb6d7d7eeb00c [0,2,0,0,0,0|1,0,0]=3 3909 B9R0.2 CSCCOCCC(=O)O bd1672f73e380f6fe93fe8a89c7b9218 [0,2,0,0,0,0|0,0,0]=2 3910 B9R0.2 CSCCOCCS(=O)C 523f86987ced443a666b87f6e3cb1410 [0,2,0,0,0,0|2,0,0]=4 3911 B9R0.2 CSCCOCC[N+](=O)[O-] 6545d6e413c2362a50d9798704247e49 [0,2,0,0,0,0|1,0,1]=4 3912 B9R0.2 CSCCOCNC(=O)C 4aec0f27a328a0ad9a769e1bb9447e51 [0,2,0,0,0,0|2,0,0]=4 3913 B9R0.2 CSCCOCNC(=O)N 8c5ffb8a66065a58c05a78768de1c67a [0,2,0,0,0,0|2,0,0]=4 3914 B9R0.2 CSCCOCOC(=O)C 4ce161e7666f6d339ad656d877b5738e [0,2,0,0,0,0|2,0,0]=4 3915 B9R0.2 CSCCOCSC(=O)N 5337a3208db83b9435de4d6c888ff7d5 [0,2,0,0,0,0|2,0,0]=4 3916 B9R0.2 CSCNC/C=C/C(=O)O 7c226f0048c34d5bb97b0870c0873d3b [0,2,0,0,0,0|0,0,2]=4 3917 B9R0.2 CSCNCC#CC(=O)O c96d606de47d4c3a5312f4c25d7c9b77 [0,2,0,0,0,0|0,0,2]=4 3918 B9R0.2 CSCNCC=CC(=O)O b8b6d8f69bf1687618553648a2d97d05 [0,2,0,0,0,0|0,0,2]=4 3919 B9R0.2 CSCNCCCC(=O)N 9c78a0b9068d8a3cc8f8317328f3766a [0,2,0,0,0,0|1,0,0]=3 3920 B9R0.2 CSCNCCCC(=O)O 7eae2fdc26b7518d89f6059c70e462f4 [0,2,0,0,0,0|0,0,0]=2 3921 B9R0.2 CSCNCCCS(=O)C 48eed52a7a09b80857dcff8c731ff71d [0,2,0,0,0,0|2,0,0]=4 3922 B9R0.2 CSCNCCNC(=O)C 0c83ce960241de6e2f8a77c5156cf9ec [0,2,0,0,0,0|2,0,0]=4 3923 B9R0.2 CSCOC/C=C/C(=O)O d0647dc68632bd0d847ac45201ae5914 [0,2,0,0,0,0|0,0,2]=4 3924 B9R0.2 CSCOCC#CC(=O)O 1c62f84ae4020df1a235e921ae287599 [0,2,0,0,0,0|0,0,2]=4 3925 B9R0.2 CSCOCC=CC(=O)O 37540b99283d1f3b0431d790f6db1d9c [0,2,0,0,0,0|0,0,2]=4 3926 B9R0.2 CSCOCCCC(=O)C 37d7fc5efc38029b2c30ac3a6898185c [0,2,0,0,0,0|1,0,0]=3 3927 B9R0.2 CSCOCCCC(=O)N bfccc78da96541a29149f439ea148b47 [0,2,0,0,0,0|1,0,0]=3 3928 B9R0.2 CSCOCCC[N+](=O)[O-] fcf3fd7d1dd5c693d6c40576f6a68f99 [0,2,0,0,0,0|1,0,1]=4 3929 B9R0.2 CSCOCCNC(=O)C 8bf9fe079133cd630591ad7e21810fd8 [0,2,0,0,0,0|2,0,0]=4 3930 B9R0.2 CSCOCCNC(=O)N 5323ec38aa7014de1cb11978f57edeee [0,2,0,0,0,0|2,0,0]=4 3931 B9R0.2 CSCOCCOC(=O)C 85f658ca31404ad6a9d937e79a707f17 [0,2,0,0,0,0|2,0,0]=4 3932 B9R0.2 C[C@@H](O)CCNCCCF 521c04738e2931c8a66f22d645802491 [0,2,0,0,0,0|1,0,1]=4 3933 B9R0.2 C[C@@H](O)CCNCCCO 879875d53905068a86ee9621ae8c2b21 [0,2,0,0,0,0|1,0,1]=4 3934 B9R0.2 C[C@@H](O)CCNCCCS ebf487901d26eddea2cf7ce80728d7f7 [0,2,0,0,0,0|1,0,1]=4 3935 B9R0.2 C[C@@H](O)CNCCCCCl 491b5c1622254008509a4ba8e9ab1cd6 [0,2,0,0,0,0|1,0,1]=4 3936 B9R0.2 C[C@@H](O)CNCCCCF fe799b76acda16431cb6fa5d25600b49 [0,2,0,0,0,0|1,0,1]=4 3937 B9R0.2 C[C@@H](O)CNCCCCO fa414208f6ad4c98dcfebb658b545113 [0,2,0,0,0,0|1,0,1]=4 3938 B9R0.2 C[C@@H](O)CNCCCCS 84fb62362fb54da5594d3cc03c2130c9 [0,2,0,0,0,0|1,0,1]=4 3939 B9R0.2 C[C@H](O)CCNCCCF d124f436f6525e8f868f951a59d90c84 [0,2,0,0,0,0|1,0,1]=4 3940 B9R0.2 C[C@H](O)CCNCCCO a698db67babc45413efb0087ad25aad2 [0,2,0,0,0,0|1,0,1]=4 3941 B9R0.2 C[C@H](O)CCNCCCS 35694b8a490fc55e24732d5b3a080a19 [0,2,0,0,0,0|1,0,1]=4 3942 B9R0.2 C[C@H](O)CNCCCCCl 10f974d9cf94c158b1c6d32ae2032c20 [0,2,0,0,0,0|1,0,1]=4 3943 B9R0.2 C[C@H](O)CNCCCCF bcc3069b5de5f2b89ea30d65e6f3b680 [0,2,0,0,0,0|1,0,1]=4 3944 B9R0.2 C[C@H](O)CNCCCCO a15a5bb9bd70a0ca5b76d0de8e96df0c [0,2,0,0,0,0|1,0,1]=4 3945 B9R0.2 C[C@H](O)CNCCCCS 57a34e18d1e9185556f58eb4a371705c [0,2,0,0,0,0|1,0,1]=4 3946 B9R0.2 N#CCCCNCC(=O)N 70b7f20154e1dc2261d79ee8ddbdbae3 [0,2,0,0,0,0|1,0,1]=4 3947 B9R0.2 N#CCCCNCC(=O)O 20724fe6156a1af746594ec9feab0e68 [0,2,0,0,0,0|0,0,1]=3 3948 B9R0.2 N#CCCCOCC(=O)N a8342065e65627c8f214f3db56f9266b [0,2,0,0,0,0|1,0,1]=4 3949 B9R0.2 N#CCCCOCC(=O)O 45398b7196d099d83805223b6a8c644f [0,2,0,0,0,0|0,0,1]=3 3950 B9R0.2 N#CCCCOCS(=O)O 49be9478e93923d14afcf867661ff067 [0,2,0,0,0,0|1,0,1]=4 3951 B9R0.2 N#CCCNCCC(=O)N ee73d06faaeeda2ac48b6152f61c3f12 [0,2,0,0,0,0|1,0,1]=4 3952 B9R0.2 N#CCCNCCC(=O)O 7abc0d2ce742a2d67238e0ee16b48f38 [0,2,0,0,0,0|0,0,1]=3 3953 B9R0.2 N#CCCNCCS(=O)O 1d56fb621e11b0b9e1f468dbd419fe7b [0,2,0,0,0,0|1,0,1]=4 3954 B9R0.2 N#CCCOCCC(=O)N 8eb32a248154e47ca15b06a50ae03c64 [0,2,0,0,0,0|1,0,1]=4 3955 B9R0.2 N#CCCOCCC(=O)O d6c21a81de880815349a7606c778d8cd [0,2,0,0,0,0|0,0,1]=3 3956 B9R0.2 N#CCNCCCC(=O)N 3b917f0e5e51e29e3d5a94faa2473d57 [0,2,0,0,0,0|1,0,1]=4 3957 B9R0.2 N#CCNCCCC(=O)O d49027464fcde58fe65757855e67264b [0,2,0,0,0,0|0,0,1]=3 3958 B9R0.2 N#CCOCCCC(=O)N 1325ab485ae2143ff06bb15a6aa2498a [0,2,0,0,0,0|1,0,1]=4 3959 B9R0.2 N#CNCCCCC(=O)N f49369528c61631094103e3f43cc7580 [0,2,0,0,0,0|1,0,1]=4 3960 B9R0.2 N#CNCCCCC(=O)O e91eb9cdc63c12d1e3fbf5ecea30450d [0,2,0,0,0,0|0,0,1]=3 3961 B9R0.2 N#CNCCOCC(=O)O d2166dd78405e5ac73f7d50421551618 [0,2,0,0,0,0|1,0,1]=4 3962 B9R0.2 N#CSCOCCC(=O)O e158ff07236598b8e33d50cec9484cd7 [0,2,0,0,0,0|1,0,1]=4 3963 B9R0.2 NC(=O)CCCCNC=O 3e503141f2993c5300de2e080e6cd43c [0,2,0,0,0,0|1,0,1]=4 3964 B9R0.2 NC(=O)CCCCNCF 75b2f82846bbe7e40aabc87d3f624ba8 [0,2,0,0,0,0|1,0,0]=3 3965 B9R0.2 NC(=O)CCCCNCO ce36ffe4a318fba229276c91570ce122 [0,2,0,0,0,0|1,0,0]=3 3966 B9R0.2 NC(=O)CCCCOCF 3777af8fc371a79c0dfdc0eb4e0712f1 [0,2,0,0,0,0|1,0,0]=3 3967 B9R0.2 NC(=O)CCCNCC=O a643217445c23b78f95058989a303128 [0,2,0,0,0,0|1,0,1]=4 3968 B9R0.2 NC(=O)CCCNCCBr 159e952c22dd14d98be643253e87144f [0,2,0,0,0,0|1,0,0]=3 3969 B9R0.2 NC(=O)CCCNCCF 86bd028566db889d0e9f083596f5b81e [0,2,0,0,0,0|1,0,0]=3 3970 B9R0.2 NC(=O)CCCNCCI c000d4b42ca6db0272d6873d5a06bf59 [0,2,0,0,0,0|1,0,0]=3 3971 B9R0.2 NC(=O)CCCNCCO b82c97f586c37f6864f17e6a0759093e [0,2,0,0,0,0|1,0,0]=3 3972 B9R0.2 NC(=O)CCCNCCS 33c260f6f564fe8a054bf0687069a0d8 [0,2,0,0,0,0|1,0,0]=3 3973 B9R0.2 NC(=O)CCCOCC=O 57550c358bd48a572738286d32dacaf1 [0,2,0,0,0,0|1,0,1]=4 3974 B9R0.2 NC(=O)CCCOCCF bed05ecccde6fc2e5c6ab1fb3d493a56 [0,2,0,0,0,0|1,0,0]=3 3975 B9R0.2 NC(=O)CCCOCCS 52144b28c666090309e74c56c2a6cead [0,2,0,0,0,0|1,0,0]=3 3976 B9R0.2 NC(=O)CCNCCC=O 03233488ecadae1146314c18f07a59ca [0,2,0,0,0,0|1,0,1]=4 3977 B9R0.2 NC(=O)CCNCCCCl ffdfddf334a4ea28c728c2af5495031a [0,2,0,0,0,0|1,0,0]=3 3978 B9R0.2 NC(=O)CCNCCCF 546af48d5e9ca27f1f573d73dbdb91c5 [0,2,0,0,0,0|1,0,0]=3 3979 B9R0.2 NC(=O)CCNCCCO 12b0fb311596dc7373666db7dc43ab52 [0,2,0,0,0,0|1,0,0]=3 3980 B9R0.2 NC(=O)CCNCCCS 9243a2bf1af632bb9baa3f382cc42b61 [0,2,0,0,0,0|1,0,0]=3 3981 B9R0.2 NC(=O)CCOCCC=O 48a1244b45b68be890fbe7059462fe02 [0,2,0,0,0,0|1,0,1]=4 3982 B9R0.2 NC(=O)CCOCCCF 78700fed2a3a54da0b4cefaac5cc6c00 [0,2,0,0,0,0|1,0,0]=3 3983 B9R0.2 NC(=O)CCOCCCS 6cc247be50b065fba7a87c9d06bbeeb0 [0,2,0,0,0,0|1,0,0]=3 3984 B9R0.2 NC(=O)CNCCCC=O 04c7aa833df1a457e4f1c1022205edc1 [0,2,0,0,0,0|1,0,1]=4 3985 B9R0.2 NC(=O)CNCCCCCl 91b0d249813b9537c494010e0ff56806 [0,2,0,0,0,0|1,0,0]=3 3986 B9R0.2 NC(=O)CNCCCCF 266a75105972b45ec53bdac26e4a879c [0,2,0,0,0,0|1,0,0]=3 3987 B9R0.2 NC(=O)CNCCCCO 62ce2ccbca019bf132f148964623dade [0,2,0,0,0,0|1,0,0]=3 3988 B9R0.2 NC(=O)CNCCCCS bd0394cf878f53354803b1f45e074f43 [0,2,0,0,0,0|1,0,0]=3 3989 B9R0.2 NC(=O)COCCCC=O 3331eea59f5b213a8bc883bc25322ee4 [0,2,0,0,0,0|1,0,1]=4 3990 B9R0.2 NC(=O)COCCCCF 14dff0e8e926e633d931e978e32c3d09 [0,2,0,0,0,0|1,0,0]=3 3991 B9R0.2 NC(=O)COCCCCS 287c58cd717f129e5b7b2b33f356b434 [0,2,0,0,0,0|1,0,0]=3 3992 B9R0.2 NC(=O)CSCCOCF 14682c52a5f07c528fa50fb51a4972f8 [0,2,0,0,0,0|2,0,0]=4 3993 B9R0.2 NC(=O)NCCNCCBr 7b6a394120d98a26f1dfd558f05e07cd [0,2,0,0,0,0|2,0,0]=4 3994 B9R0.2 NC(=O)NCCNCCF 35eef7ae71cc5353feac8e98a190f74f [0,2,0,0,0,0|2,0,0]=4 3995 B9R0.2 NC(=O)NCCNCCI d917443d376c7dfdc07bbf005fce671c [0,2,0,0,0,0|2,0,0]=4 3996 B9R0.2 NC(=O)NCCNCCO 2e9bc9ca7cc738e7b6594bad09ee0eb9 [0,2,0,0,0,0|2,0,0]=4 3997 B9R0.2 NC(=O)NCCNCCS 4313366d691e8e9d57893f29664e4c12 [0,2,0,0,0,0|2,0,0]=4 3998 B9R0.2 NC(=O)NCCOCCF 129f1e5c1f899d2f884fde6cbd9ca046 [0,2,0,0,0,0|2,0,0]=4 3999 B9R0.2 NC(=O)NCCOCCS 79cf9a460b8e495c164eb27ce997fa62 [0,2,0,0,0,0|2,0,0]=4 4000 B9R0.2 NC(=O)NCOCCCF d7a0112763cf1b00f62d3ac950564c44 [0,2,0,0,0,0|2,0,0]=4 4001 B9R0.2 NC(=O)NCOCCCS 23550992a6fb2bd448026e7fb1bfb826 [0,2,0,0,0,0|2,0,0]=4 4002 B9R0.2 NC(=O)SCNCCCCl 84fe23d07629c40540b095d1764b1d9c [0,2,0,0,0,0|2,0,0]=4 4003 B9R0.2 NC(=O)SCNCCCO f6394a384382d5519237e2b0a9bd88b2 [0,2,0,0,0,0|2,0,0]=4 4004 B9R0.2 NC(=O)SCOCCCF 2b6ed421c8f12eae9673459ab6cd6345 [0,2,0,0,0,0|2,0,0]=4 4005 B9R0.2 NC(=O)SCOCCCS 2d42f2e5d53bbeef8f8598ad5ca8ce9d [0,2,0,0,0,0|2,0,0]=4 4006 B9R0.2 NC(=S)CCNCCCF 805155b546f434c7412ce20b3049b3dd [0,2,0,0,0,0|1,1,0]=4 4007 B9R0.2 NC(=S)CCNCCCO 75ed61683774dafebc495cba1abb320f [0,2,0,0,0,0|1,1,0]=4 4008 B9R0.2 NC(=S)CCNCCCS 0b28be36689f39c6df7ad71695f37a02 [0,2,0,0,0,0|1,1,0]=4 4009 B9R0.2 NC(=S)COCCCCF 7ba045ff5e578e6979af6ed388990604 [0,2,0,0,0,0|1,1,0]=4 4010 B9R0.2 NOCCNCCC(=O)N 03ffc32aa3bc80027ebbc766920b3bd9 [0,2,0,0,0,0|2,0,0]=4 4011 B9R0.2 NOCCNCCC(=O)O 97fb15aec87da8ce11a044d05cf9bad9 [0,2,0,0,0,0|1,0,0]=3 4012 B9R0.2 O=C(O)/C=C/CNCCBr 9d755d7205a20dbe522663a089879b3a [0,2,0,0,0,0|0,0,2]=4 4013 B9R0.2 O=C(O)/C=C/CNCCF b3131ced97b234b1289a5013b1e1c61c [0,2,0,0,0,0|0,0,2]=4 4014 B9R0.2 O=C(O)/C=C/CNCCI ce769c9f0428b17440c76351c7e11247 [0,2,0,0,0,0|0,0,2]=4 4015 B9R0.2 O=C(O)/C=C/CNCCO 93a89649b619dea89e7c11dfa7f7aa9d [0,2,0,0,0,0|0,0,2]=4 4016 B9R0.2 O=C(O)/C=C/CNCCS 92abc05d6e84073df2dee1d135db5373 [0,2,0,0,0,0|0,0,2]=4 4017 B9R0.2 O=C(O)/C=C/COCCF db5f7eff06251f8978f4f7d07daa01c2 [0,2,0,0,0,0|0,0,2]=4 4018 B9R0.2 O=C(O)/C=C/COCCS 8a3013d354f5503b5682b578d368f0da [0,2,0,0,0,0|0,0,2]=4 4019 B9R0.2 O=C(O)C#CCCOCF 497471b5d152ca87009def7b479dda07 [0,2,0,0,0,0|0,0,2]=4 4020 B9R0.2 O=C(O)C#CCNCCF d916459483df03f83c79ddd8bf132a9a [0,2,0,0,0,0|0,0,2]=4 4021 B9R0.2 O=C(O)C#CCNCCO 722522d57a7ff166b18ef92858ffaa37 [0,2,0,0,0,0|0,0,2]=4 4022 B9R0.2 O=C(O)C#CCNCCS 84314e71a56c3f572abb0c5396cd84b3 [0,2,0,0,0,0|0,0,2]=4 4023 B9R0.2 O=C(O)C#CCOCCF c436c74f3f0efb85e9b0d2a7bf2c9974 [0,2,0,0,0,0|0,0,2]=4 4024 B9R0.2 O=C(O)C#CCOCCS 40f63cd55bd624dcf535531443872eb1 [0,2,0,0,0,0|0,0,2]=4 4025 B9R0.2 O=C(O)C=CCNCCBr cf334d8d753b9386bfc69e4cfdf7de70 [0,2,0,0,0,0|0,0,2]=4 4026 B9R0.2 O=C(O)C=CCNCCF 777a9c85e85fbc73694a5651e8be607e [0,2,0,0,0,0|0,0,2]=4 4027 B9R0.2 O=C(O)C=CCNCCI 1b842602153f6c762c46e27cd24adee8 [0,2,0,0,0,0|0,0,2]=4 4028 B9R0.2 O=C(O)C=CCNCCO 9ade19e93c03b7906f649b0ba2e47aaa [0,2,0,0,0,0|0,0,2]=4 4029 B9R0.2 O=C(O)C=CCNCCS 6895181496316641d5fbe1ba3f2cbad9 [0,2,0,0,0,0|0,0,2]=4 4030 B9R0.2 O=C(O)C=CCOCCF 6a1cced9ceb263fe986a90f4d7cb48be [0,2,0,0,0,0|0,0,2]=4 4031 B9R0.2 O=C(O)C=CCOCCS 129f928d26e6fb7bee7caf0418eb6896 [0,2,0,0,0,0|0,0,2]=4 4032 B9R0.2 O=C(O)CCCCNCF f1da66cc537567fc1409c1b8a001e59a [0,2,0,0,0,0|0,0,0]=2 4033 B9R0.2 O=C(O)CCCCNCO a429407eaab02fb376aa947f0797c09f [0,2,0,0,0,0|0,0,0]=2 4034 B9R0.2 O=C(O)CCCCOCF 272aa66e75d0e45407420628e364d2e7 [0,2,0,0,0,0|0,0,0]=2 4035 B9R0.2 O=C(O)CCCNCCF 0ab78b72bdcdd94b4fcf99e3ac56449a [0,2,0,0,0,0|0,0,0]=2 4036 B9R0.2 O=C(O)CCCNCCI 7033442a1b0a8ae6af132618bc1c6df8 [0,2,0,0,0,0|0,0,0]=2 4037 B9R0.2 O=C(O)CCCNCCO aaad7be98a5cc430b61cd9b864cc9997 [0,2,0,0,0,0|0,0,0]=2 4038 B9R0.2 O=C(O)CCCNCCS ec86078ea056d643545478c3e7a92429 [0,2,0,0,0,0|0,0,0]=2 4039 B9R0.2 O=C(O)CCCOCCS d487913876e55d03c8afd0183250981c [0,2,0,0,0,0|0,0,0]=2 4040 B9R0.2 O=C(O)CCNC/C=C/Cl 5d212c009cbd6e0333406b94db80def8 [0,2,0,0,0,0|0,0,2]=4 4041 B9R0.2 O=C(O)CCNC/C=C\Cl 2ed01caa28591236085182ea8dcca007 [0,2,0,0,0,0|0,0,2]=4 4042 B9R0.2 O=C(O)CCNC/C=C\O cc7c46dff9df63934b5a7f5ec4dd9c26 [0,2,0,0,0,0|0,0,2]=4 4043 B9R0.2 O=C(O)CCNCCCCl 1f163366118bc570454513ac2f5e8fbb [0,2,0,0,0,0|0,0,0]=2 4044 B9R0.2 O=C(O)CCNCCCF a17270c122f9805cda800592e5e91910 [0,2,0,0,0,0|0,0,0]=2 4045 B9R0.2 O=C(O)CCNCCCO 11321b019c242b6c5e41fa5801169200 [0,2,0,0,0,0|0,0,0]=2 4046 B9R0.2 O=C(O)CCNCCCS 9bd4ee04c37720e288052c22d2384dc9 [0,2,0,0,0,0|0,0,0]=2 4047 B9R0.2 O=C(O)CCOC/C=C/Cl 2abbf4f0a2f661f4f26a27c9c78f4901 [0,2,0,0,0,0|0,0,2]=4 4048 B9R0.2 O=C(O)CCOC/C=C\Cl df258de9bfd0d6613f70e3f829bf6607 [0,2,0,0,0,0|0,0,2]=4 4049 B9R0.2 O=C(O)CCOCC#CI 8f9cd9db656bb0ed1fc94804ce868e17 [0,2,0,0,0,0|0,0,2]=4 4050 B9R0.2 O=C(O)CCOCC=CCl 37717d633b95d88c1da7144f16178a4e [0,2,0,0,0,0|0,0,2]=4 4051 B9R0.2 O=C(O)CCOCCCF 20d201b31423e454de60bb0a61187076 [0,2,0,0,0,0|0,0,0]=2 4052 B9R0.2 O=C(O)CCOCCCS 63a015d01ea8847197749ff6208e8461 [0,2,0,0,0,0|0,0,0]=2 4053 B9R0.2 O=C(O)CNCC#CCO 1548a91f4dc34d49239e48b7d1d36174 [0,2,0,0,0,0|0,0,2]=4 4054 B9R0.2 O=C(O)CNCCCCCl 738ccc3cf8a76961c1007f23612565a7 [0,2,0,0,0,0|0,0,0]=2 4055 B9R0.2 O=C(O)CNCCCCF 87df936d60601b25837503e691186b45 [0,2,0,0,0,0|0,0,0]=2 4056 B9R0.2 O=C(O)CNCCCCO 8e5b81d8439207e41841bfd4f00422f6 [0,2,0,0,0,0|0,0,0]=2 4057 B9R0.2 O=C(O)CNCCCCS 453564c18d03243292ce248980af0648 [0,2,0,0,0,0|0,0,0]=2 4058 B9R0.2 O=C(O)COCCCCF 12acb17f17ee14046729a98f278631b2 [0,2,0,0,0,0|0,0,0]=2 4059 B9R0.2 O=C(O)COCCCCS fb95717e8a0986d68c391e1936081030 [0,2,0,0,0,0|0,0,0]=2 4060 B9R0.2 O=C(O)COCCNCF 902de3e0c3be70f497e3e8e70e7c0f34 [0,2,0,0,0,0|1,0,0]=3 4061 B9R0.2 O=C(O)COCCNCO 4781d798b4b2130de47b72b21dee42b8 [0,2,0,0,0,0|1,0,0]=3 4062 B9R0.2 O=C(O)COCCOCF 0f4018af36089db8a76afc74213c9dbd [0,2,0,0,0,0|1,0,0]=3 4063 B9R0.2 O=C(O)CSCCNCF 51afe936143cd16b6a26fab50de7edfe [0,2,0,0,0,0|1,0,0]=3 4064 B9R0.2 O=C(O)CSCCNCO b8a631e6ee072d2b9882ae854b7ed0da [0,2,0,0,0,0|1,0,0]=3 4065 B9R0.2 O=CCCCNCC(=O)O 00744a469b104f3f873a6267c7e8ee73 [0,2,0,0,0,0|0,0,1]=3 4066 B9R0.2 O=CCCCOCC(=O)O b0cdc41918441c731c2718b00d81dcd2 [0,2,0,0,0,0|0,0,1]=3 4067 B9R0.2 O=CCCCOCS(=O)O 1dcdf7c86a879bcb167a68d25aac0ae8 [0,2,0,0,0,0|1,0,1]=4 4068 B9R0.2 O=CCCNCCC(=O)O 65f36927815c9ad4e958ab911ae7459a [0,2,0,0,0,0|0,0,1]=3 4069 B9R0.2 O=CCCNCCS(=O)O 5006ea26c2ce1237cdc32fc6352f753b [0,2,0,0,0,0|1,0,1]=4 4070 B9R0.2 O=CCCOCCC(=O)O c361370d412c815155a03ec5c084d013 [0,2,0,0,0,0|0,0,1]=3 4071 B9R0.2 O=CCNCCCC(=O)O b0fd6156dd240d44b8433e7a48df34bb [0,2,0,0,0,0|0,0,1]=3 4072 B9R0.2 O=CNCCOCC(=O)O 46eb792ba4fe9d95e9ffe2e93cf32521 [0,2,0,0,0,0|1,0,1]=4 4073 B9R0.2 O=COCCOCC(=O)O f3b4d97927494a2173d02be67bcc6a7f [0,2,0,0,0,0|1,0,1]=4 4074 B9R0.2 O=S(O)CCNCCCF 0577de8adf853e021288f6381be8d968 [0,2,0,0,0,0|1,0,0]=3 4075 B9R0.2 O=S(O)CCNCCCO b80775135ee13215474068b2db2ca5f5 [0,2,0,0,0,0|1,0,0]=3 4076 B9R0.2 O=S(O)CCNCCCS fac970679249a41c630115703fcdd583 [0,2,0,0,0,0|1,0,0]=3 4077 B9R0.2 O=S(O)COCCCCF 87791b3ea13bba76918751e06f5547fc [0,2,0,0,0,0|1,0,0]=3 4078 B9R0.2 O=[N+]([O-])CCCCOCF 34ce3e9d4d4d044f38a6aab6e619804c [0,2,0,0,0,0|1,0,1]=4 4079 B9R0.2 O=[N+]([O-])CCCNCCBr d97095d3096a81dd930ebcedc04afbfa [0,2,0,0,0,0|1,0,1]=4 4080 B9R0.2 O=[N+]([O-])CCCNCCF 866c99d5d1c1fc2d40f4c58712fa6470 [0,2,0,0,0,0|1,0,1]=4 4081 B9R0.2 O=[N+]([O-])CCCNCCI 66e47e6a14740eb0763c09765a180df4 [0,2,0,0,0,0|1,0,1]=4 4082 B9R0.2 O=[N+]([O-])CCCNCCO 90f7f1659f973a0f0c96081c2531565c [0,2,0,0,0,0|1,0,1]=4 4083 B9R0.2 O=[N+]([O-])CCCNCCS 8f48d9df371474654d00d20ceb451b89 [0,2,0,0,0,0|1,0,1]=4 4084 B9R0.2 O=[N+]([O-])CCCOCCF 62b985c0a336b3da1fccbd61f9e0c129 [0,2,0,0,0,0|1,0,1]=4 4085 B9R0.2 O=[N+]([O-])CCCOCCS 25f467362081a8714aa87462895c6ca2 [0,2,0,0,0,0|1,0,1]=4 4086 B9R0.2 O=[N+]([O-])CCOCCCF 7f1d2dd6dac2fc4741d02c0c8c1f0cc2 [0,2,0,0,0,0|1,0,1]=4 4087 B9R0.2 O=[N+]([O-])CCOCCCS ec5a51751798205dbe11e69c7a70e2da [0,2,0,0,0,0|1,0,1]=4 4088 B9R0.2 O=[N+]([O-])CNCCCCCl d9106dc6d2931e6c2d7691c418a88654 [0,2,0,0,0,0|1,0,1]=4 4089 B9R0.2 O=[N+]([O-])CNCCCCO c7b7bbbbbed0b17d54f2de7fbc9b845d [0,2,0,0,0,0|1,0,1]=4 4090 B9R0.2 O=[N+]([O-])CNCCCCS ae5d8a496c45c148d58c60bfe8aee958 [0,2,0,0,0,0|1,0,1]=4 4091 B9R0.2 O=[N+]([O-])COCCCCF 83dc5c762a6de902172ff9280deee049 [0,2,0,0,0,0|1,0,1]=4 4092 B9R0.2 O=[N+]([O-])COCCCCS 4943a5e360ef82844e727f1f756fbb9d [0,2,0,0,0,0|1,0,1]=4 4093 B9R0.38 CCCCNCC(C)(C)O 95fdb2e1bd57622c6c60528ab64a43bc [0,2,0,0,0,0|1,0,1]=4 4094 B9R0.38 CCCCNCS(=O)(=O)C af64d2f3f611fa49cafd0242b0d855ea [0,2,0,0,0,0|1,0,1]=4 4095 B9R0.38 CCCCNCS(=O)(=O)O 007c1dfa0321cdc0245df468cea7c92e [0,2,0,0,0,0|1,0,0]=3 4096 B9R0.38 CCCCOCC(C)(C)O 6a3687537efafc506d36570c020f8b8d [0,2,0,0,0,0|1,0,1]=4 4097 B9R0.38 CCCCOCS(=O)(=O)C ae3cf22c4e1a83e24a16fb57756bdbf6 [0,2,0,0,0,0|1,0,1]=4 4098 B9R0.38 CCCNCCC(C)(C)O bf4a91f204de8db06066cd5a44328705 [0,2,0,0,0,0|1,0,1]=4 4099 B9R0.38 CCCNCCS(=O)(=O)C 1b051c00b09d09978f0f18f41ae24870 [0,2,0,0,0,0|1,0,1]=4 4100 B9R0.38 CCCNCCS(=O)(=O)N 07581e92d9dd2f92c22e4102283c24b4 [0,2,0,0,0,0|1,0,1]=4 4101 B9R0.38 CCCNCCS(=O)(=O)O 125660fb3634ce638a0dd477f18c2998 [0,2,0,0,0,0|1,0,0]=3 4102 B9R0.38 CCCOCCC(C)(C)O ca832f1548b8f34b1a7f2f9a13a5c594 [0,2,0,0,0,0|1,0,1]=4 4103 B9R0.38 CCCOCCS(=N)(=O)C 6f8be8bab81ecc23adcdd4e7bed06b00 [0,2,0,0,0,0|2,0,0]=4 4104 B9R0.38 CCCOCCS(=O)(=O)C 8c2c38e5ec4da4853c7ce2c0098bf306 [0,2,0,0,0,0|1,0,1]=4 4105 B9R0.38 CCCOCCS(=O)(=O)N e9c1a6222404b9975b7128319d2fc039 [0,2,0,0,0,0|1,0,1]=4 4106 B9R0.38 CCCOCCS(=O)(=O)O e43acf3fef2bd06fb3b24a9a2d5ea63f [0,2,0,0,0,0|1,0,0]=3 4107 B9R0.38 CCNCCCC(C)(C)O 15499cf28b521c8baad612d0cf53420f [0,2,0,0,0,0|1,0,1]=4 4108 B9R0.38 CCNCCCS(=O)(=O)C dc544c63c4417c641431496d935b44bd [0,2,0,0,0,0|1,0,1]=4 4109 B9R0.38 CCNCCCS(=O)(=O)N c96651467d9af1df2dc2e047eecd367a [0,2,0,0,0,0|1,0,1]=4 4110 B9R0.38 CCNCCCS(=O)(=O)O faa55f24fabb8dc0aae5f0daba718695 [0,2,0,0,0,0|1,0,0]=3 4111 B9R0.38 CCNCCOS(=O)(=O)O 876f7e6446babbca46748c4b0bf3a813 [0,2,0,0,0,0|2,0,0]=4 4112 B9R0.38 CCOCCCS(=O)(=O)C 0e91023cf4c58377fc324c64bd6cdce0 [0,2,0,0,0,0|1,0,1]=4 4113 B9R0.38 CCOCCCS(=O)(=O)N 79c7ff5b1b1298c864185a0190c4c414 [0,2,0,0,0,0|1,0,1]=4 4114 B9R0.38 CCOCCCS(=O)(=O)O 71130b7c1cbfcc6b3c1a7c6c681de977 [0,2,0,0,0,0|1,0,0]=3 4115 B9R0.38 CCOCNCS(=O)(=O)O 5ba63832ea9194b4bcd69ed0fd64a0e0 [0,2,0,0,0,0|2,0,0]=4 4116 B9R0.38 COCCNCS(=O)(=O)O 4535918515b4a2dab798f802b96f13d5 [0,2,0,0,0,0|2,0,0]=4 4117 B9R0.38 COCNCCS(=O)(=O)O 31a65dd20dc66b8aaf75e8e6a7923dc8 [0,2,0,0,0,0|2,0,0]=4 4118 B9R0.38 COCOCCS(=O)(=O)O 58ad80d2f79a164b195a51c572b8ef72 [0,2,0,0,0,0|2,0,0]=4 4119 B9R0.38 CSCCNCS(=O)(=O)O 025220fd99aca52d385ee3aea67a980f [0,2,0,0,0,0|2,0,0]=4 4120 B9R0.38 CSCNCCS(=O)(=O)O ebac4ac3068473b8071756cc3196de13 [0,2,0,0,0,0|2,0,0]=4 4121 B9R0.38 CSCOCCS(=O)(=O)O 0f14daf83541f97da8bc310a2001d3cb [0,2,0,0,0,0|2,0,0]=4 4122 B9R0.38 O=S(=O)(O)CCCNCF 2a4a9dfeb07182d8a63036ce2b24413b [0,2,0,0,0,0|2,0,0]=4 4123 B9R0.38 O=S(=O)(O)CCCNCO 1a952e966c036bd43dc06396ec59f71c [0,2,0,0,0,0|2,0,0]=4 4124 B9R0.38 O=S(=O)(O)CCCOCF 093d3bc5856b127fa76ca175c45618bc [0,2,0,0,0,0|2,0,0]=4 4125 B9R0.38 O=S(=O)(O)CCNCCBr ceafd7fbf2a79df74e9aace856c60f40 [0,2,0,0,0,0|2,0,0]=4 4126 B9R0.38 O=S(=O)(O)CCNCCF db428a16fc58ff94d6aaa271953c13b1 [0,2,0,0,0,0|2,0,0]=4 4127 B9R0.38 O=S(=O)(O)CCNCCI 10cb17f093acbfee5fda56629f23cc28 [0,2,0,0,0,0|2,0,0]=4 4128 B9R0.38 O=S(=O)(O)CCNCCO e6f18e49a9430943c1a29a262a901c42 [0,2,0,0,0,0|2,0,0]=4 4129 B9R0.38 O=S(=O)(O)CCNCCS c94683276b222533308823940df9c6bb [0,2,0,0,0,0|2,0,0]=4 4130 B9R0.38 O=S(=O)(O)CCOCCF 00e0dc5b43c55bf8f9e20408091b66ab [0,2,0,0,0,0|2,0,0]=4 4131 B9R0.38 O=S(=O)(O)CCOCCS 9e616575c7bd1c02eac18d74e13d2b06 [0,2,0,0,0,0|2,0,0]=4 4132 B9R0.38 O=S(=O)(O)CNCCCCl 1d3f1378632c010773f3f882e024a8f1 [0,2,0,0,0,0|2,0,0]=4 4133 B9R0.38 O=S(=O)(O)CNCCCF 1501593deec373f4c40b33de3231ea1e [0,2,0,0,0,0|2,0,0]=4 4134 B9R0.38 O=S(=O)(O)CNCCCO 6cea7d835d697def49b603206e21275d [0,2,0,0,0,0|2,0,0]=4 4135 B9R0.38 O=S(=O)(O)CNCCCS c1313d1ccc0ce55707fb4303624c1dba [0,2,0,0,0,0|2,0,0]=4 4136 B9R0.38 O=S(=O)(O)COCCCF 2cd5711ff3c7e6c1a9af72599952b132 [0,2,0,0,0,0|2,0,0]=4 4137 B9R0.48 C#CCC(C)OCC(=O)O 0835f7b07d3faca22337f7063acadc83 [0,2,0,0,0,0|0,0,2]=4 4138 B9R0.48 C#CCN(C)CCC(=O)O 190ebfe976f23c6a4760ea2b195e163b [0,2,0,0,0,0|0,0,2]=4 4139 B9R0.48 C/C=C/C(C)OCC(=O)O faebc3261e3a36af1d31713fdea4082c [0,2,0,0,0,0|0,0,2]=4 4140 B9R0.48 C=C(Br)CNC(C)CCC d1e87f5542f2307e864af5084642a423 [0,2,0,0,0,0|2,0,0]=4 4141 B9R0.48 C=C(Br)CN[C@@H](C)CCC 026742ec5a83c2ea5c7cdd96b7bf8515 [0,2,0,0,0,0|2,0,0]=4 4142 B9R0.48 C=C(Br)COC(C)CCC 9b42c71e18ddb5f1df0cfed1380fbc1d [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.48 C=C(Br)CO[C@@H](C)CCC f5dbba56577b47c8139533bef64e6a47 [0,2,0,0,0,0|2,0,0]=4 4144 B9R0.48 C=C(Br)CO[C@H](C)CCC 31129fd17e5635d40c40e1dca48175e1 [0,2,0,0,0,0|2,0,0]=4 4145 B9R0.48 C=C(C)CCN(C)CCC 4ed61490ac4d6de89bca3de564940ca9 [0,2,0,0,0,0|2,0,0]=4 4146 B9R0.48 C=C(C)CNC(C)CCC 249a59065d0d74ced558dc9c9dc4f202 [0,2,0,0,0,0|2,0,0]=4 4147 B9R0.48 C=C(C)CN[C@@H](C)CCC fd09b17b6eab62ae3b8eb3ec9d6279f3 [0,2,0,0,0,0|2,0,0]=4 4148 B9R0.48 C=C(C)COC(C)CCC 8a712e3f999a984623a12b3e185e16f6 [0,2,0,0,0,0|2,0,0]=4 4149 B9R0.48 C=C(C)CO[C@@H](C)CCC e17237a765f8d2f7515c764ae18eed6b [0,2,0,0,0,0|2,0,0]=4 4150 B9R0.48 C=C(C)CO[C@H](C)CCC c07382948aa51118d6a02318fd89a90c [0,2,0,0,0,0|2,0,0]=4 4151 B9R0.48 C=C(Cl)CNC(C)CCC 439f29525e9ac53db46e03cff08e57cc [0,2,0,0,0,0|2,0,0]=4 4152 B9R0.48 C=C(Cl)CN[C@@H](C)CCC 5b1f9afd10517d211188dba56c2833fa [0,2,0,0,0,0|2,0,0]=4 4153 B9R0.48 C=C(Cl)COC(C)CCC 4469f239e88e997d5230d6906915a264 [0,2,0,0,0,0|2,0,0]=4 4154 B9R0.48 C=C(Cl)CO[C@@H](C)CCC 847077f2e15a78bac2a4d70b1ea7e8fa [0,2,0,0,0,0|2,0,0]=4 4155 B9R0.48 C=C(Cl)CO[C@H](C)CCC ff9eb95f7bb39ecffad9190ef32d24a9 [0,2,0,0,0,0|2,0,0]=4 4156 B9R0.48 C=C(I)COC(C)CCC 7041f181646a6f58588ec8a65571cde0 [0,2,0,0,0,0|2,0,0]=4 4157 B9R0.48 C=CCC(C)OCC(=O)O d4c2db20e21f45057095c6dd9b09bcfe [0,2,0,0,0,0|0,0,2]=4 4158 B9R0.48 C=CCN(C)CCC(=O)O 85c31c0123bc751a9540d6f16d5ab7f5 [0,2,0,0,0,0|0,0,2]=4 4159 B9R0.48 C=CC[C@@H](C)OCC(=O)O e1ec2ca024444d722f0b6bd34535e0cd [0,2,0,0,0,0|0,0,2]=4 4160 B9R0.48 C=CC[C@H](C)OCC(=O)O 6ea8726abd2765890e4fcb26b01386e0 [0,2,0,0,0,0|0,0,2]=4 4161 B9R0.48 CC#CC(C)OCC(=O)O e813873701cea8517348ce7a075a23bc [0,2,0,0,0,0|0,0,2]=4 4162 B9R0.48 CC(=O)CCN(C)CCF cdc83228dd3252c1749d13a60adc5400 [0,2,0,0,0,0|2,0,0]=4 4163 B9R0.48 CC(=O)CCN(C)CCO 4a03b831e9c1e8d9f6e965d9f1dd4ebb [0,2,0,0,0,0|2,0,0]=4 4164 B9R0.48 CC(=O)CNC(C)CCO 9e95fc34e5592f78b50834034d3bee25 [0,2,0,0,0,0|2,0,0]=4 4165 B9R0.48 CC(=O)NCC(C)CCO e9136906ce0994bcda960f696063f2a9 [0,2,0,0,0,0|2,0,0]=4 4166 B9R0.48 CC(CC#N)NCC(=O)O 69fba03fb5560f26359cbab13b359b1e [0,2,0,0,0,0|1,0,1]=4 4167 B9R0.48 CC(CC#N)OCC(=O)O 70ee78feb9ab6a3020a3affabc75ae0e [0,2,0,0,0,0|1,0,1]=4 4168 B9R0.48 CC(CCC(=O)O)NC#N 013e3f5bce1f84721446768ab72dd503 [0,2,0,0,0,0|1,0,1]=4 4169 B9R0.48 CC(CCC(=O)O)NCF a92d39df8a126f0852271a9b340958b4 [0,2,0,0,0,0|1,0,0]=3 4170 B9R0.48 CC(CCC(=O)O)OCF 8a850024bcf506861cc56e2f4b203d76 [0,2,0,0,0,0|1,0,0]=3 4171 B9R0.48 CC(CCO)NCC(=O)N ee855d8cbfe47d902f4e0ecbc66af7f8 [0,2,0,0,0,0|2,0,0]=4 4172 B9R0.48 CC(CCO)NCC(=O)O facbaef0695b9d4fe56ffc8af771a40f [0,2,0,0,0,0|1,0,0]=3 4173 B9R0.48 CC=CC(C)OCC(=O)O 4f9396fcfa89905cdd40c7dc857f21fd [0,2,0,0,0,0|0,0,2]=4 4174 B9R0.48 CCCC(=O)NCC(=O)C 2da9b0181737be2a6f0a306a2b6bdda4 [0,2,0,0,0,0|1,0,1]=4 4175 B9R0.48 CCCC(=O)NCC(=O)N 5610a82535abef121600219256c9e7bf [0,2,0,0,0,0|1,0,1]=4 4176 B9R0.48 CCCC(=S)OCC(=O)N 0b6465c79ee1be21a9602ef32757ede7 [0,2,0,0,0,0|1,0,1]=4 4177 B9R0.48 CCCC(=S)OCC(=O)O 1c62169da41f2cb2acdc293fd6559f2d [0,2,0,0,0,0|0,0,1]=3 4178 B9R0.48 CCCC(C)NCC(=O)C 6b8217a6e509e4e9ac7eac79852a2211 [0,2,0,0,0,0|1,0,0]=3 4179 B9R0.48 CCCC(C)NCC(=O)N c7599e8ca497fbac7099aebf1f0f8aac [0,2,0,0,0,0|1,0,0]=3 4180 B9R0.48 CCCC(C)NCC(=O)O cc1e9c4996e6fef62cc1269e902e2107 [0,2,0,0,0,0|0,0,0]=2 4181 B9R0.48 CCCC(C)NCC(C)O 47ca46de854bc307afa51b274d820e99 [0,2,0,0,0,0|1,0,1]=4 4182 B9R0.48 CCCC(C)NC[C@@H](C)O dd3e1e5a99d06357b215baaa3e655fbd [0,2,0,0,0,0|1,0,1]=4 4183 B9R0.48 CCCC(C)NC[C@H](C)O 9331ecd30e898992036bbad5faca0440 [0,2,0,0,0,0|1,0,1]=4 4184 B9R0.48 CCCC(C)NC[N+](=O)[O-] fec979aa2692a5b6c311cad8c0dbbc6c [0,2,0,0,0,0|1,0,1]=4 4185 B9R0.48 CCCC(C)OCC(=O)C 1cb96080ad3b5f1e9dd4a42dcc86b0a0 [0,2,0,0,0,0|1,0,0]=3 4186 B9R0.48 CCCC(C)OCC(=O)N 7e6999709f4494a1ecc876c304501582 [0,2,0,0,0,0|1,0,0]=3 4187 B9R0.48 CCCC(C)OCC(=O)O 841e752dc9ac365809a80143d547b4ea [0,2,0,0,0,0|0,0,0]=2 4188 B9R0.48 CCCC(C)OCC(=S)N 53e4836c2da53eec93819a42a5b417e0 [0,2,0,0,0,0|1,1,0]=4 4189 B9R0.48 CCCC(C)OCS(=O)O 5fd3c2b57cde05de71deaa29073d7460 [0,2,0,0,0,0|1,0,0]=3 4190 B9R0.48 CCCC(C)OC[N+](=O)[O-] 46ae41b33890caee55b9c81d88ba1802 [0,2,0,0,0,0|1,0,1]=4 4191 B9R0.48 CCCC(O)CNC(=O)C 5b570a4d674c9d38425ae4777e887a42 [0,2,0,0,0,0|1,0,0]=3 4192 B9R0.48 CCCN(C)CCC(=O)C b29483cd50605788c7eef5f63dcb49c2 [0,2,0,0,0,0|1,0,0]=3 4193 B9R0.48 CCCN(C)CCC(=O)N df69e561042543f03748d6be46a7cd9c [0,2,0,0,0,0|1,0,0]=3 4194 B9R0.48 CCCN(C)CCC(=O)O c326725f005578bca676b9f1f6f13638 [0,2,0,0,0,0|0,0,0]=2 4195 B9R0.48 CCCN(C)CCC(C)O d548c004046fcb4cac04a11fffe2a92b [0,2,0,0,0,0|1,0,1]=4 4196 B9R0.48 CCCN(C)CCS(=O)C 3f7f381d2ff7fd8f8b515c3fb76c3d89 [0,2,0,0,0,0|2,0,0]=4 4197 B9R0.48 CCCN(C)COC(=O)C 0353bc7482d98b3c935ad94681e2352d [0,2,0,0,0,0|2,0,0]=4 4198 B9R0.48 CCCN(C)CSC(=O)N ac12b7ae18653dba20b50f3ea6b2b656 [0,2,0,0,0,0|2,0,0]=4 4199 B9R0.48 CCC[C@@H](C)OCC(=O)N c33601ccdbc26af4c94de37ccd60dbb7 [0,2,0,0,0,0|1,0,0]=3 4200 B9R0.48 CCC[C@@H](C)OCC(=O)O 51c501112f8d973994eff73221ed5619 [0,2,0,0,0,0|0,0,0]=2 4201 B9R0.48 CCC[C@@H](C)OC[N+](=O)[O-] 037447bd914f940e773e9ae4eec2b2c8 [0,2,0,0,0,0|1,0,1]=4 4202 B9R0.48 CCC[C@H](C)NCC(=O)N 2f193e4895d45290d1e4c025c650c03f [0,2,0,0,0,0|1,0,0]=3 4203 B9R0.48 CCC[C@H](C)NCC(=O)O e4aa324610e7a29c03d24a187e7b9bea [0,2,0,0,0,0|0,0,0]=2 4204 B9R0.48 CCC[C@H](C)NCC(C)O 564c6afcec40669a3c18d484e9d625f8 [0,2,0,0,0,0|1,0,1]=4 4205 B9R0.48 CCC[C@H](C)NC[C@@H](C)O f8f56b630d6b9084881f1dc1c9f6ac45 [0,2,0,0,0,0|1,0,1]=4 4206 B9R0.48 CCC[C@H](C)NC[C@H](C)O a434bea59043bb2c05076edff7a7581d [0,2,0,0,0,0|1,0,1]=4 4207 B9R0.48 CCC[C@H](C)NC[N+](=O)[O-] 5a5a7758cb713843e598c06054fa95a6 [0,2,0,0,0,0|1,0,1]=4 4208 B9R0.48 CCC[C@H](C)OCC(=O)N 838feb7f628304bf0a6aa0910dbfc330 [0,2,0,0,0,0|1,0,0]=3 4209 B9R0.48 CCC[C@H](C)OCC(=O)O 21190ebbab7da0abc6514346eed4dcf5 [0,2,0,0,0,0|0,0,0]=2 4210 B9R0.48 CCC[C@H](C)OC[N+](=O)[O-] c885816113158913d765d3fd15d0fea0 [0,2,0,0,0,0|1,0,1]=4 4211 B9R0.48 CCNC(C)CCC(=O)O 7dbe459581ff5b66cbefd9a1d696ad43 [0,2,0,0,0,0|0,0,0]=2 4212 B9R0.48 CCN[C@@H](C)CCC(=O)O c2d632f7e33174af2c524d9023ca075b [0,2,0,0,0,0|0,0,0]=2 4213 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [0,2,0,0,0,0|0,0,0]=2 4214 B9R0.48 CCOC(C)CNC(=O)C 217fca33332c664f1a507b96c62f402a [0,2,0,0,0,0|2,0,0]=4 4215 B9R0.48 CCOC(C)COC(=O)C 9e93393c063eba810753fb5603d4fc7e [0,2,0,0,0,0|2,0,0]=4 4216 B9R0.48 CN(CC#N)CCC(=O)O 7ee855adb388b27d4f530ceef2499116 [0,2,0,0,0,0|1,0,1]=4 4217 B9R0.48 CN(CC=O)CCC(=O)O c2208c5f20eb019e9eb30d465cfc143b [0,2,0,0,0,0|1,0,1]=4 4218 B9R0.48 CN(CCF)CCC(=O)N 1162d624abb9e02bb3e7367ba7025435 [0,2,0,0,0,0|2,0,0]=4 4219 B9R0.48 CN(CCF)CCC(=O)O 98b30d2a6b798aa5402f2613938994ad [0,2,0,0,0,0|1,0,0]=3 4220 B9R0.48 CN(CCO)CCC(=O)N 4c6097e8d0e68d91a2233c9af460ed84 [0,2,0,0,0,0|2,0,0]=4 4221 B9R0.48 CN(CCO)CCC(=O)O dff5f325047c0f022e242f8ab09a0166 [0,2,0,0,0,0|1,0,0]=3 4222 B9R0.48 CN(CCS)CCC(=O)N b280f17724c33fdc42441d54cfbf13fc [0,2,0,0,0,0|2,0,0]=4 4223 B9R0.48 CN(CCS)CCC(=O)O 834e8dabd4decc6fedd4ae2dee1a1dfb [0,2,0,0,0,0|1,0,0]=3 4224 B9R0.48 COCC(C)NCC(=O)C 66428d1fbec130ffc6abd2b2b4184289 [0,2,0,0,0,0|2,0,0]=4 4225 B9R0.48 COCC(C)NCC(=O)N 2a85402add89b33d09cee582d974122e [0,2,0,0,0,0|2,0,0]=4 4226 B9R0.48 COCC(C)NCC(=O)O e01666d87959623998976d0fafabe1b4 [0,2,0,0,0,0|1,0,0]=3 4227 B9R0.48 COCC(C)OCC(=O)C ace81521640f8e9505293b44aa1ed37f [0,2,0,0,0,0|2,0,0]=4 4228 B9R0.48 COCC(C)OCC(=O)N 7d04affdce90658a1e1f9af9f91e8fcc [0,2,0,0,0,0|2,0,0]=4 4229 B9R0.48 COCC(C)OCC(=O)O af12d17716abae98c4b6439f05d9b8db [0,2,0,0,0,0|1,0,0]=3 4230 B9R0.48 COCC(C)OCS(=O)O 8e0f3d4aa3af6e49675c6678bb54e2f6 [0,2,0,0,0,0|2,0,0]=4 4231 B9R0.48 COCC(O)CNC(=O)C b9e4b5e9625177a365a4bdbe35bd87be [0,2,0,0,0,0|2,0,0]=4 4232 B9R0.48 COCN(C)CCC(=O)N 5f04638c852e547a486d808a2002a8b7 [0,2,0,0,0,0|2,0,0]=4 4233 B9R0.48 COCN(C)CCC(=O)O 0303bd9b3e27ba66031eea0a93003c39 [0,2,0,0,0,0|1,0,0]=3 4234 B9R0.48 COC[C@@H](C)NCC(=O)N 19cec0a0d7c311317a88ea4dd58f1b22 [0,2,0,0,0,0|2,0,0]=4 4235 B9R0.48 COC[C@@H](C)NCC(=O)O e8166a8a6f9778cdf58111f239ebd7ae [0,2,0,0,0,0|1,0,0]=3 4236 B9R0.48 COC[C@@H](C)OCC(=O)N 0de9ccc6f20a88c5b21b25c17c729130 [0,2,0,0,0,0|2,0,0]=4 4237 B9R0.48 COC[C@@H](C)OCC(=O)O 98562fabe6feb10b85b2a34b6a556f9c [0,2,0,0,0,0|1,0,0]=3 4238 B9R0.48 COC[C@@H](O)CNC(=O)C 77bae3eb71a3b0890035e84a8c0ee4ab [0,2,0,0,0,0|2,0,0]=4 4239 B9R0.48 COC[C@H](C)NCC(=O)N 38f4aae9a8b29f292cc33528055c603b [0,2,0,0,0,0|2,0,0]=4 4240 B9R0.48 COC[C@H](C)NCC(=O)O 6115e49dc0a4f10f9f15c2b7faed79c6 [0,2,0,0,0,0|1,0,0]=3 4241 B9R0.48 COC[C@H](C)OCC(=O)N dd66be63f36dd9f2bb1c38aa8a13e8db [0,2,0,0,0,0|2,0,0]=4 4242 B9R0.48 COC[C@H](C)OCC(=O)O 3f04353f9edb1d4c983cf07f5d5e3249 [0,2,0,0,0,0|1,0,0]=3 4243 B9R0.48 CSCC(C)OCC(=O)N 6815567749759bca3910689394e3339c [0,2,0,0,0,0|2,0,0]=4 4244 B9R0.48 CSCC(C)OCC(=O)O 55d35686540ec9ccedd07c412d0e4191 [0,2,0,0,0,0|1,0,0]=3 4245 B9R0.48 CSCN(C)CCC(=O)N 4e591e866b2c73dbff30a7b48b193437 [0,2,0,0,0,0|2,0,0]=4 4246 B9R0.48 CSCN(C)CCC(=O)O 014d9e48ffe569c3e580b87ffc15fcd1 [0,2,0,0,0,0|1,0,0]=3 4247 B9R0.48 C[C@@H](CC#N)OCC(=O)O 8221ae7fefced7c44c448304bb0cf294 [0,2,0,0,0,0|1,0,1]=4 4248 B9R0.48 C[C@@H](CCC(=O)O)NCF b06f766ae4850f0433b3999a4509184a [0,2,0,0,0,0|1,0,0]=3 4249 B9R0.48 C[C@@H](CCO)NCC(=O)N ce9017a5837179665e14eb055febb119 [0,2,0,0,0,0|2,0,0]=4 4250 B9R0.48 C[C@@H](CCO)NCC(=O)O e3de9f2ceaa95fe96caa8265de6dee4c [0,2,0,0,0,0|1,0,0]=3 4251 B9R0.48 C[C@H](CC#N)OCC(=O)O 8b21be68c80128a2aeb313ea629aed62 [0,2,0,0,0,0|1,0,1]=4 4252 B9R0.48 C[C@H](CCO)NCC(=O)N b5d7ad76dea80bd36b6380bd7b31cf62 [0,2,0,0,0,0|2,0,0]=4 4253 B9R0.48 C[C@H](CCO)NCC(=O)O a393ad11daa1ce12621ddeee9e978586 [0,2,0,0,0,0|1,0,0]=3 4254 B9R0.55 C/C(=C/CNCC(=O)O)/I a76d6dbc0e5328a9b8aa64ebd1b6c194 [0,2,0,0,0,0|0,0,2]=4 4255 B9R0.55 C/C(=C/COCC(=O)O)/Cl bdea4f5aeb03cc258b24f376652d8a21 [0,2,0,0,0,0|0,0,2]=4 4256 B9R0.55 C/C(=C/COCC(=O)O)/I 6bfad94351ed127d47214e042271c08e [0,2,0,0,0,0|0,0,2]=4 4257 B9R0.55 C/C(=C\CNCC(=O)O)/Cl 33489f0d342c5536f81ea090a2f820e8 [0,2,0,0,0,0|0,0,2]=4 4258 B9R0.55 C/C(=C\COCC(=O)O)/Cl 4fa34096288c6e1175d96996004a7d69 [0,2,0,0,0,0|0,0,2]=4 4259 B9R0.55 C=C(Br)CCOCC(=O)O a9e36997fe5836e0f9241f25906160f7 [0,2,0,0,0,0|0,0,2]=4 4260 B9R0.55 C=C(Br)CCOCC(C)C bd506f21a7f72d5859e3a046f578eee7 [0,2,0,0,0,0|2,0,0]=4 4261 B9R0.55 C=C(Br)CNCCC(=O)O 24d418da2c74050d4e807f3cdc1c65d8 [0,2,0,0,0,0|0,0,2]=4 4262 B9R0.55 C=C(Br)CNCCC(C)C 25faa38740f983e4433d01766e8730f0 [0,2,0,0,0,0|2,0,0]=4 4263 B9R0.55 C=C(Br)CNCCC(C)O 91af8dd0401975879c8998d15c157469 [0,2,0,0,0,0|2,0,0]=4 4264 B9R0.55 C=C(Br)CNCC[C@@H](C)O b9cc5d3b8036f95bd12f09f0dde3d090 [0,2,0,0,0,0|2,0,0]=4 4265 B9R0.55 C=C(Br)CNCC[C@H](C)O c096af31239e0585a936c962dc960988 [0,2,0,0,0,0|2,0,0]=4 4266 B9R0.55 C=C(Br)COCCC(=O)O fa101352e435d76fadec151481d8b4d9 [0,2,0,0,0,0|0,0,2]=4 4267 B9R0.55 C=C(Br)COCCC(C)C eb57bb67c29ca003cfbfe10e0d6cc658 [0,2,0,0,0,0|2,0,0]=4 4268 B9R0.55 C=C(C)CCCOC(C)C e3742700e2d73e11414a9d2165d14d13 [0,2,0,0,0,0|2,0,0]=4 4269 B9R0.55 C=C(C)CCNCC(=O)C ecc5eaef95bd43b57450b718411d778a [0,2,0,0,0,0|1,0,1]=4 4270 B9R0.55 C=C(C)CCNCC(=O)N ca4965e13bd2acdb7d843062df458fed [0,2,0,0,0,0|1,0,1]=4 4271 B9R0.55 C=C(C)CCNCC(=O)O 14f79230f366d4f53483d592ca1209f4 [0,2,0,0,0,0|0,0,1]=3 4272 B9R0.55 C=C(C)CCNCC(C)C cc94ef4ed5c8b5b4cc520b0e1a82b61a [0,2,0,0,0,0|2,0,0]=4 4273 B9R0.55 C=C(C)CCNCC(C)O 5ad2e9e1a5c9ea7b0b89317480f5a251 [0,2,0,0,0,0|2,0,0]=4 4274 B9R0.55 C=C(C)CCNC[C@@H](C)O 9d8c1d53de838d5a486c2b6cc129a0b1 [0,2,0,0,0,0|2,0,0]=4 4275 B9R0.55 C=C(C)CCNC[C@H](C)O b836500d37ce2e2e056f45188ca62270 [0,2,0,0,0,0|2,0,0]=4 4276 B9R0.55 C=C(C)CCOCC(=O)C 674e4ae6886ff1d2fa28b38381f83ac0 [0,2,0,0,0,0|1,0,1]=4 4277 B9R0.55 C=C(C)CCOCC(=O)N d33aa0dae0308277a86cd28962dc0582 [0,2,0,0,0,0|1,0,1]=4 4278 B9R0.55 C=C(C)CCOCC(=O)O d511df34cdc214eb72cb2dd39c037f73 [0,2,0,0,0,0|0,0,1]=3 4279 B9R0.55 C=C(C)CCOCC(C)C ad250d1d2648365b7a9d4d37d3b8ebac [0,2,0,0,0,0|2,0,0]=4 4280 B9R0.55 C=C(C)CCOCC(C)F dfb385884a8d67b76dbde5dc6fcd3346 [0,2,0,0,0,0|2,0,0]=4 4281 B9R0.55 C=C(C)CCOCC(C)S 578fed4954aa8c092a2989944449a2bc [0,2,0,0,0,0|2,0,0]=4 4282 B9R0.55 C=C(C)CCOCS(=O)O ecbb5741a09ee7987ba5c1d0d0de517d [0,2,0,0,0,0|1,0,1]=4 4283 B9R0.55 C=C(C)CCOC[C@@H](C)F 6f41035d36a8a861e4faca241d4bb666 [0,2,0,0,0,0|2,0,0]=4 4284 B9R0.55 C=C(C)CCOC[C@H](C)F 89e3b001f0f0fb7f3f952a33f6471dfa [0,2,0,0,0,0|2,0,0]=4 4285 B9R0.55 C=C(C)CNCCC(=O)C 8f02e27a7c607dfc1a5bc61e972fbe37 [0,2,0,0,0,0|1,0,1]=4 4286 B9R0.55 C=C(C)CNCCC(=O)N 2b98860e45e58e139d93177c6c6c578a [0,2,0,0,0,0|1,0,1]=4 4287 B9R0.55 C=C(C)CNCCC(=O)O c94702ac8441eb8e035c8c88a218653b [0,2,0,0,0,0|0,0,1]=3 4288 B9R0.55 C=C(C)CNCCC(C)C e511ee812ae62864d0d56d9a869f810c [0,2,0,0,0,0|2,0,0]=4 4289 B9R0.55 C=C(C)CNCCC(C)O 1e26bb030bd5403aaa661d90f5bd3321 [0,2,0,0,0,0|2,0,0]=4 4290 B9R0.55 C=C(C)CNCCS(=O)O be713806f813a34f6e21929145611649 [0,2,0,0,0,0|1,0,1]=4 4291 B9R0.55 C=C(C)CNCC[C@@H](C)O 5247a41986a2db39b43651346a2a353c [0,2,0,0,0,0|2,0,0]=4 4292 B9R0.55 C=C(C)CNCC[C@H](C)O ee20120b0714c7bf76bcbec6645c4af1 [0,2,0,0,0,0|2,0,0]=4 4293 B9R0.55 C=C(C)COCCC(=O)C 70cdb13dc4d6f031583b0aab7b94bdad [0,2,0,0,0,0|1,0,1]=4 4294 B9R0.55 C=C(C)COCCC(=O)N 2711f42315610cfc7376cfa714d91ab6 [0,2,0,0,0,0|1,0,1]=4 4295 B9R0.55 C=C(C)COCCC(=O)O e23f99666316477d86f1528d4f6e582f [0,2,0,0,0,0|0,0,1]=3 4296 B9R0.55 C=C(C)COCCC(C)C 18ecd9b546cd72b4cef7ebec434c3dfb [0,2,0,0,0,0|2,0,0]=4 4297 B9R0.55 C=C(Cl)CNCCC(=O)O d7a8796dbf447df8169b63ab3acf3abc [0,2,0,0,0,0|0,0,2]=4 4298 B9R0.55 C=C(Cl)CNCCC(C)C 71740294c3215a86f0737f5777a9f7d8 [0,2,0,0,0,0|2,0,0]=4 4299 B9R0.55 C=C(Cl)CNCCC(C)O 2fd3b4da6316772d93c37fee38aed8a7 [0,2,0,0,0,0|2,0,0]=4 4300 B9R0.55 C=C(Cl)CNCC[C@@H](C)O 9a6bacacd1e585ba985b02d1dc7c1fac [0,2,0,0,0,0|2,0,0]=4 4301 B9R0.55 C=C(Cl)CNCC[C@H](C)O 8f9b231c23502c54bd1e89c8b729a830 [0,2,0,0,0,0|2,0,0]=4 4302 B9R0.55 C=C(Cl)COCCC(=O)O 7e4609936e0015efd3cbad5e831ce239 [0,2,0,0,0,0|0,0,2]=4 4303 B9R0.55 C=C(Cl)COCCC(C)C f059c2da9c42ad918ad68c2e368224c5 [0,2,0,0,0,0|2,0,0]=4 4304 B9R0.55 C=C(F)CNCCC(=O)O 0aeb2472ea35931086b539b89b183be7 [0,2,0,0,0,0|0,0,2]=4 4305 B9R0.55 C=C(F)CNCCC(C)C 0ef24ecaec3e679ffe7ec565dcd9dca9 [0,2,0,0,0,0|2,0,0]=4 4306 B9R0.55 C=C(F)CNCCC(C)O 824274172e871934ac6b7de0e3d2e5c4 [0,2,0,0,0,0|2,0,0]=4 4307 B9R0.55 C=C(F)CNCC[C@@H](C)O 6ecd47a92a61ca929abea0eb44132f9b [0,2,0,0,0,0|2,0,0]=4 4308 B9R0.55 C=C(F)CNCC[C@H](C)O e22fa5240841a0a02198c3c6bd3bf58f [0,2,0,0,0,0|2,0,0]=4 4309 B9R0.55 C=C(F)COCCC(=O)O e2dfc5b0ed80dc98b9e248c432aacba3 [0,2,0,0,0,0|0,0,2]=4 4310 B9R0.55 C=C(F)COCCC(C)C d1a2858e4daab1776673df42b8ace619 [0,2,0,0,0,0|2,0,0]=4 4311 B9R0.55 C=C(I)COCCC(=O)O 3a5c69e24d6ce770f5447a1d28609b12 [0,2,0,0,0,0|0,0,2]=4 4312 B9R0.55 C=C(I)COCCC(C)C 2b8f560dfc1e9d856eb0f41151625be8 [0,2,0,0,0,0|2,0,0]=4 4313 B9R0.55 CC(=CCNCC(=O)O)C eb2d4cd02024c6dd2f4bde47f5d99d0f [0,2,0,0,0,0|0,0,2]=4 4314 B9R0.55 CC(=CCNCC(=O)O)Cl 6d8afa17fed8b33a695b60b47587d586 [0,2,0,0,0,0|0,0,2]=4 4315 B9R0.55 CC(=CCNCC(=O)O)I e657b86155224eb6f1335bfe7dfa415c [0,2,0,0,0,0|0,0,2]=4 4316 B9R0.55 CC(=CCOCC(=O)O)C dd5792ad54701fa0e3373ee19c312e10 [0,2,0,0,0,0|0,0,2]=4 4317 B9R0.55 CC(=CCOCC(=O)O)Cl 694c1884a37ad5555ea5d980bc801c56 [0,2,0,0,0,0|0,0,2]=4 4318 B9R0.55 CC(=CCOCC(=O)O)I be3e61200a84664bfac9ff931641085e [0,2,0,0,0,0|0,0,2]=4 4319 B9R0.55 CC(=O)CCCOC(C)C ca9590f9812dfe3bbd12d00e8d8da35d [0,2,0,0,0,0|1,0,0]=3 4320 B9R0.55 CC(=O)CCNCC(=O)C a214a75957335c42a991001b0d025dcf [0,2,0,0,0,0|1,0,1]=4 4321 B9R0.55 CC(=O)CCNCC(=O)N 883ed360f69e34416c89d3b52cc5ee69 [0,2,0,0,0,0|1,0,1]=4 4322 B9R0.55 CC(=O)CCNCC(=O)O 40694212f6627e29d6641d6f27eb6cbd [0,2,0,0,0,0|0,0,1]=3 4323 B9R0.55 CC(=O)CCNCC(C)C 4c46adea65c7a7a18afa0eb496cf810e [0,2,0,0,0,0|1,0,0]=3 4324 B9R0.55 CC(=O)CCNCC(C)O 1e4535b6e0ff075e7741b213424a4a2f [0,2,0,0,0,0|1,0,0]=3 4325 B9R0.55 CC(=O)CCNCC(F)F 7c4c7d203b63e7c077d6956251a8ccb5 [0,2,0,0,0,0|2,0,0]=4 4326 B9R0.55 CC(=O)CCNC[C@@H](C)O d673557cdbf1f592c8dda2f56361c517 [0,2,0,0,0,0|1,0,0]=3 4327 B9R0.55 CC(=O)CCNC[C@H](C)O 45bdb4c19b607b23643637f75b4e9707 [0,2,0,0,0,0|1,0,0]=3 4328 B9R0.55 CC(=O)CCOCC(=O)C 974441e375e1fad064766c61157f7015 [0,2,0,0,0,0|1,0,1]=4 4329 B9R0.55 CC(=O)CCOCC(=O)N 282ca2239418fd9eb0b111d82a9b4972 [0,2,0,0,0,0|1,0,1]=4 4330 B9R0.55 CC(=O)CCOCC(=O)O 9074473ccbed0d52dad15c2ee2e3d18e [0,2,0,0,0,0|0,0,1]=3 4331 B9R0.55 CC(=O)CCOCC(C)C 9ee5575ae874bec3c1972a6d60564d69 [0,2,0,0,0,0|1,0,0]=3 4332 B9R0.55 CC(=O)CCOCC(C)F c746ebaf009979f59ee11e75904265b4 [0,2,0,0,0,0|1,0,0]=3 4333 B9R0.55 CC(=O)CCOCC(C)S 84f9642d3544369c1856724fb718e0a9 [0,2,0,0,0,0|1,0,0]=3 4334 B9R0.55 CC(=O)CCOCC(F)F b2af07f4108d282e63a6f9f4d2bedf01 [0,2,0,0,0,0|2,0,0]=4 4335 B9R0.55 CC(=O)CCOCN(C)C 358eaca0e312daf92cc8597ceed5c1d1 [0,2,0,0,0,0|2,0,0]=4 4336 B9R0.55 CC(=O)CCOCS(=O)O f6e9010978f00c1cf77b9647abda7b06 [0,2,0,0,0,0|1,0,1]=4 4337 B9R0.55 CC(=O)CCOC[C@@H](C)F c8502d42a16118aee52b1137ce3c8158 [0,2,0,0,0,0|1,0,0]=3 4338 B9R0.55 CC(=O)CCOC[C@H](C)F ce373016b0ed0d862bfa7566abaf2432 [0,2,0,0,0,0|1,0,0]=3 4339 B9R0.55 CC(=O)CNCCC(=O)N 131a7e451436a40baf4f4512e78ed898 [0,2,0,0,0,0|1,0,1]=4 4340 B9R0.55 CC(=O)CNCCC(=O)O f7e1177d8b3728ece360d0f60d2f3d30 [0,2,0,0,0,0|0,0,1]=3 4341 B9R0.55 CC(=O)CNCCC(C)C a808dcd2847c2da2ce54f5f0db358bfb [0,2,0,0,0,0|1,0,0]=3 4342 B9R0.55 CC(=O)CNCCC(C)O bb1baaff82472d97dc1cb89a36c3c257 [0,2,0,0,0,0|1,0,0]=3 4343 B9R0.55 CC(=O)CNCCN(C)C 2bfdf00c0d570e57e079c18fa106c33b [0,2,0,0,0,0|2,0,0]=4 4344 B9R0.55 CC(=O)CNCCS(=O)C c95eec6a0a25a386e2b31b5961a26e0c [0,2,0,0,0,0|2,0,0]=4 4345 B9R0.55 CC(=O)CNCOC(C)C a945bade2363953109b966473de13912 [0,2,0,0,0,0|2,0,0]=4 4346 B9R0.55 CC(=O)COCCC(=O)N 1bca4404f8e823f3667de3d7a32641f4 [0,2,0,0,0,0|1,0,1]=4 4347 B9R0.55 CC(=O)COCCC(=O)O 9181529c791e851b859a70ea035f0690 [0,2,0,0,0,0|0,0,1]=3 4348 B9R0.55 CC(=O)COCCC(C)C 6db7d2dfcb34356d041afbdf4ad10eaf [0,2,0,0,0,0|1,0,0]=3 4349 B9R0.55 CC(=O)COCCN(C)C 08b5b324aa9c95ec96ce560d6ace1e6b [0,2,0,0,0,0|2,0,0]=4 4350 B9R0.55 CC(=O)COCCS(=O)C 43a8112de84e67bb0c3dafc01ea48cca [0,2,0,0,0,0|2,0,0]=4 4351 B9R0.55 CC(=O)COCOC(C)C c8c376ed0f894da9d085e516b4703885 [0,2,0,0,0,0|2,0,0]=4 4352 B9R0.55 CC(=O)NCCCC(=O)N b2e1a0ba0837c4a3760cbdc18a234480 [0,2,0,0,0,0|1,0,1]=4 4353 B9R0.55 CC(=O)NCCCC(C)C fb53002ebde56b3103c957e1e4a39dab [0,2,0,0,0,0|1,0,0]=3 4354 B9R0.55 CC(=O)NCCCN(C)C 102e725d4de8a9a63bb409b78aa3277e [0,2,0,0,0,0|2,0,0]=4 4355 B9R0.55 CC(=O)NCCCS(=O)C 85ed7b7246ef0c021ed1278da00bdfcc [0,2,0,0,0,0|2,0,0]=4 4356 B9R0.55 CC(=O)NCCNC(C)C 822f6b4f05048df798b316cd1c28fb95 [0,2,0,0,0,0|2,0,0]=4 4357 B9R0.55 CC(=O)NCCOC(C)C b381b472459d35fc48cf96cd566b674a [0,2,0,0,0,0|2,0,0]=4 4358 B9R0.55 CC(=O)NCOCC(=O)O 199bc2e8e5e1191f0ae1489131d4aa2e [0,2,0,0,0,0|1,0,1]=4 4359 B9R0.55 CC(=O)NCOCC(C)C 99fab954934087ff9543d41841dc681b [0,2,0,0,0,0|2,0,0]=4 4360 B9R0.55 CC(=O)OCCOC(C)C 47d9129c1599949f03f1848bfa090132 [0,2,0,0,0,0|2,0,0]=4 4361 B9R0.55 CC(=O)OCNCC(=O)O 931361d70c9f9259da3c0cb1999fabc7 [0,2,0,0,0,0|1,0,1]=4 4362 B9R0.55 CC(=O)OCNCC(C)C 73c52b46c778e94f160efebe7100b3ee [0,2,0,0,0,0|2,0,0]=4 4363 B9R0.55 CC(=O)OCNCC(C)O 9db9e7d06b2a8cad87a499ac08f0e412 [0,2,0,0,0,0|2,0,0]=4 4364 B9R0.55 CC(=O)OCNC[C@@H](C)O cf466a4403498827be8d51621b10fac5 [0,2,0,0,0,0|2,0,0]=4 4365 B9R0.55 CC(=O)OCNC[C@H](C)O 8d21f065d54dba23af256e127e2724b7 [0,2,0,0,0,0|2,0,0]=4 4366 B9R0.55 CC(=O)OCOCC(=O)O 420aa58c3d791b706016f7c13dd202fe [0,2,0,0,0,0|1,0,1]=4 4367 B9R0.55 CC(=O)OCOCC(C)C 890e7bb626a73ee23682d1a24e4e5660 [0,2,0,0,0,0|2,0,0]=4 4368 B9R0.55 CC(=O)OCOCC(C)F 1e266d93b2f84915d8da0c33fbda1669 [0,2,0,0,0,0|2,0,0]=4 4369 B9R0.55 CC(=O)OCOCC(C)S 0b6967d22dd320e77ec56e8e8c5ab8e4 [0,2,0,0,0,0|2,0,0]=4 4370 B9R0.55 CC(=O)OCOC[C@@H](C)F 1034db271157f331ac3275f87ea9d11c [0,2,0,0,0,0|2,0,0]=4 4371 B9R0.55 CC(=O)OCOC[C@H](C)F 2556adee788f90d2ea8da11a26bcc804 [0,2,0,0,0,0|2,0,0]=4 4372 B9R0.55 CC(=O)SCCOC(C)C 43a4faeca2d74acee795a0735650199a [0,2,0,0,0,0|2,0,0]=4 4373 B9R0.55 CC(C)CCNCC(=O)N a0656cb8464b6fd8b1ff4bd15f50cbc4 [0,2,0,0,0,0|1,0,0]=3 4374 B9R0.55 CC(C)CCNCC(=O)O bae9df2f573f745ee71bdebc170a935b [0,2,0,0,0,0|0,0,0]=2 4375 B9R0.55 CC(C)CCNCC(C)O ba455eacaabbd4222e5a22a69ff71168 [0,2,0,0,0,0|1,0,1]=4 4376 B9R0.55 CC(C)CCNC[C@@H](C)O 54be452c6661de04fcd57895270b5eda [0,2,0,0,0,0|1,0,1]=4 4377 B9R0.55 CC(C)CCNC[C@H](C)O e01da230da8a08dd3911d050f5bc3a5c [0,2,0,0,0,0|1,0,1]=4 4378 B9R0.55 CC(C)CCNC[N+](=O)[O-] d87c9001753938fab0c032b9836698cb [0,2,0,0,0,0|1,0,1]=4 4379 B9R0.55 CC(C)CCOCC(=O)N a6054c15c949445f04569adc9e755ebb [0,2,0,0,0,0|1,0,0]=3 4380 B9R0.55 CC(C)CCOCC(=O)O e88766c3f11bcdb2fdb3cb88ad21cf09 [0,2,0,0,0,0|0,0,0]=2 4381 B9R0.55 CC(C)CCOCC(=S)N 4baa196d903c85bda1fb9837c460a4af [0,2,0,0,0,0|1,1,0]=4 4382 B9R0.55 CC(C)CCOCS(=O)O 86661055fa920a1b3121c7cd1555f374 [0,2,0,0,0,0|1,0,0]=3 4383 B9R0.55 CC(C)CCOC[N+](=O)[O-] e3b5ccf4587084f8cfb2ec665d6a5318 [0,2,0,0,0,0|1,0,1]=4 4384 B9R0.55 CC(C)CNCCC(=O)N f954dfdd0d8f70498d61cb3d06960ab2 [0,2,0,0,0,0|1,0,0]=3 4385 B9R0.55 CC(C)CNCCC(=O)O c1d65499ae131aec028ce1008fad9272 [0,2,0,0,0,0|0,0,0]=2 4386 B9R0.55 CC(C)CNCCC(=S)N b6eb2bf88748cd60cc7bb26949def87e [0,2,0,0,0,0|1,1,0]=4 4387 B9R0.55 CC(C)CNCCC(C)O 1e0db634f9173d1d3f2d70d101e78805 [0,2,0,0,0,0|1,0,1]=4 4388 B9R0.55 CC(C)CNCCS(=O)C f8911574509ee3e34b9a6fb39e9f6d09 [0,2,0,0,0,0|2,0,0]=4 4389 B9R0.55 CC(C)CNCCS(=O)O dfa1fe188cc20667a2b65b212e676b93 [0,2,0,0,0,0|1,0,0]=3 4390 B9R0.55 CC(C)CNCC[C@@H](C)O 2ea242edb154ea9e362eb4e00fd73b44 [0,2,0,0,0,0|1,0,1]=4 4391 B9R0.55 CC(C)CNCC[C@H](C)O 88ef43e42879c17115f9c87165f1c923 [0,2,0,0,0,0|1,0,1]=4 4392 B9R0.55 CC(C)CNCSC(=O)N 8a612380e6ef7c8f5185d2a22bd798fd [0,2,0,0,0,0|2,0,0]=4 4393 B9R0.55 CC(C)COCCC(=O)N e7a69b8b783cbc96e187123cf43e59f4 [0,2,0,0,0,0|1,0,0]=3 4394 B9R0.55 CC(C)COCCC(=O)O 1a7492ddc84059d0e80957dca0a4ad8a [0,2,0,0,0,0|0,0,0]=2 4395 B9R0.55 CC(C)COCCS(=O)C fc864c99de43400e6ba798829cdf7f50 [0,2,0,0,0,0|2,0,0]=4 4396 B9R0.55 CC(C)COCC[N+](=O)[O-] 47d503d251b69f33bbf02abd32e63f9d [0,2,0,0,0,0|1,0,1]=4 4397 B9R0.55 CC(C)COCNC(=O)N 08123fadbb28ea9d982d49fbb5e87197 [0,2,0,0,0,0|2,0,0]=4 4398 B9R0.55 CC(C)COCSC(=O)N 6bdf9a025d7ae4db16a42bb3216fa017 [0,2,0,0,0,0|2,0,0]=4 4399 B9R0.55 CC(C)NC/C=C/C(=O)O ae9dbd87f20c6972a3670d953188c3ce [0,2,0,0,0,0|0,0,2]=4 4400 B9R0.55 CC(C)NCC#CC(=O)O 2322157e673e62502fc91ecd464ad9e6 [0,2,0,0,0,0|0,0,2]=4 4401 B9R0.55 CC(C)NCC=CC(=O)O 8c3eb5e4ab7e707382a244b29e0cbb5e [0,2,0,0,0,0|0,0,2]=4 4402 B9R0.55 CC(C)NCCCC(=O)N 9e4c383ef9d91eb38a1cb9ea76545b30 [0,2,0,0,0,0|1,0,0]=3 4403 B9R0.55 CC(C)NCCCC(=O)O 01eb41f71d44f45aa45fe88cad39755b [0,2,0,0,0,0|0,0,0]=2 4404 B9R0.55 CC(C)NCCCS(=O)C 16782eee41672ce14cab39a1f6614436 [0,2,0,0,0,0|2,0,0]=4 4405 B9R0.55 CC(C)OC/C=C/C(=O)O 6bbca3c32dd54059c9ebefbdb83a4677 [0,2,0,0,0,0|0,0,2]=4 4406 B9R0.55 CC(C)OCC#CC(=O)O 192a4aa7410cc4a8c82dd63d229fa824 [0,2,0,0,0,0|0,0,2]=4 4407 B9R0.55 CC(C)OCC=CC(=O)O 0c0c6ff71b7a84b51cfd84c6c96dabb5 [0,2,0,0,0,0|0,0,2]=4 4408 B9R0.55 CC(C)OCCCC(=O)N 51a23f79a38cac73ae7b6c43c25b7bcc [0,2,0,0,0,0|1,0,0]=3 4409 B9R0.55 CC(C)OCCC[N+](=O)[O-] 294b4522b50d44bc807539101cdf4789 [0,2,0,0,0,0|1,0,1]=4 4410 B9R0.55 CC(C)OCCNC(=O)N a4a03f2751babfbf4974f25bd5919e06 [0,2,0,0,0,0|2,0,0]=4 4411 B9R0.55 CC(C)OCNCC(=O)N 4623dc9ea900605748497d3d838b652d [0,2,0,0,0,0|2,0,0]=4 4412 B9R0.55 CC(C)OCNCC(=O)O 116e31958898eaa4d243bb8a4f561aab [0,2,0,0,0,0|1,0,0]=3 4413 B9R0.55 CC(C)OCOCC(=O)N b5a7ab3c0754aafe656207a497cdcf0d [0,2,0,0,0,0|2,0,0]=4 4414 B9R0.55 CC(C)OCOCC(=O)O 185be0dff94a3b667aca878d046b91c5 [0,2,0,0,0,0|1,0,0]=3 4415 B9R0.55 CC(C)OCOCS(=O)O fb7571885bae3ecb68bd2897e06c7f33 [0,2,0,0,0,0|2,0,0]=4 4416 B9R0.55 CC(F)COCCC(=O)N 051b0a8baa8c4dea0155e2e210bb1bb0 [0,2,0,0,0,0|1,0,0]=3 4417 B9R0.55 CC(F)COCCC(=O)O 576299124ecf48074968b3f5485a6420 [0,2,0,0,0,0|0,0,0]=2 4418 B9R0.55 CC(F)COCCS(=O)C e39a01feb47156e69031381737b7342d [0,2,0,0,0,0|2,0,0]=4 4419 B9R0.55 CC(F)COCSC(=O)N e18ea3523691d9022e4816b5cdb00b0e [0,2,0,0,0,0|2,0,0]=4 4420 B9R0.55 CC(O)CCNCC(=O)N d60e66bceb90389360a4002efcacb8fa [0,2,0,0,0,0|1,0,0]=3 4421 B9R0.55 CC(O)CCNCC(=O)O f5b9d99827273ca6405b63a402359712 [0,2,0,0,0,0|0,0,0]=2 4422 B9R0.55 CC(O)CCNCC(C)O a6458a7a56d7bcd3d010a23c8fe256f3 [0,2,0,0,0,0|1,0,1]=4 4423 B9R0.55 CC(O)CCNC[C@@H](C)O 9125021e043750131eea7dd1e503531b [0,2,0,0,0,0|1,0,1]=4 4424 B9R0.55 CC(O)CCNC[C@H](C)O f23d02f84116b8da4626f25bb5aea274 [0,2,0,0,0,0|1,0,1]=4 4425 B9R0.55 CC(O)CCNC[N+](=O)[O-] 8440596623c0ac8fac56934b32e2436c [0,2,0,0,0,0|1,0,1]=4 4426 B9R0.55 CC(O)CNCCC(=O)N 9e22e19f884b1ca5fa9ba22b71f71819 [0,2,0,0,0,0|1,0,0]=3 4427 B9R0.55 CC(O)CNCCC(=O)O 5882e34934c12d2feca68ee09fe20110 [0,2,0,0,0,0|0,0,0]=2 4428 B9R0.55 CC(O)CNCCC(=S)N fa04c33ed2691325843d184d9de9fab7 [0,2,0,0,0,0|1,1,0]=4 4429 B9R0.55 CC(O)CNCCS(=O)C dae9c38fef793a5143f679ffa92b48ea [0,2,0,0,0,0|2,0,0]=4 4430 B9R0.55 CC(O)CNCCS(=O)O 508e710c16cab6c037e8a01eec63d97e [0,2,0,0,0,0|1,0,0]=3 4431 B9R0.55 CC(O)CNCC[C@@H](C)O 297ecc9ac74b85be5b4f2e9e6f73e68a [0,2,0,0,0,0|1,0,1]=4 4432 B9R0.55 CC(O)CNCC[C@H](C)O 708e8d885cce762243f909757305cfd4 [0,2,0,0,0,0|1,0,1]=4 4433 B9R0.55 CC(O)CNCSC(=O)N 310a3668f516f4ce99a8597d9c3837e5 [0,2,0,0,0,0|2,0,0]=4 4434 B9R0.55 CC(S)COCCC(=O)N 9925d76f35cd27119937fa03b6552995 [0,2,0,0,0,0|1,0,0]=3 4435 B9R0.55 CC(S)COCCC(=O)O b635c1384c7caeef54ad902ade79227f [0,2,0,0,0,0|0,0,0]=2 4436 B9R0.55 CC(S)COCCS(=O)C 21250b10cb55034db416cc47863f017c [0,2,0,0,0,0|2,0,0]=4 4437 B9R0.55 CC(S)COCSC(=O)N cb81a391afb0154da400ce07b2549997 [0,2,0,0,0,0|2,0,0]=4 4438 B9R0.55 CN(C)CCNCC(=O)N e8510ac25318f7bd1696d4b330196d39 [0,2,0,0,0,0|2,0,0]=4 4439 B9R0.55 CN(C)CCNCC(=O)O 634f8ba28991fe4a91743dfcd1ec664b [0,2,0,0,0,0|1,0,0]=3 4440 B9R0.55 CN(C)CCOCC(=O)N 9f49915af320d245f81f03b513697896 [0,2,0,0,0,0|2,0,0]=4 4441 B9R0.55 CN(C)CCOCC(=O)O 841429c0c14a54a981cd653dba3ce73c [0,2,0,0,0,0|1,0,0]=3 4442 B9R0.55 CN(C)CCOCS(=O)O 1a2000344c8479c2928c32c294bf0416 [0,2,0,0,0,0|2,0,0]=4 4443 B9R0.55 CN(C)CNCCC(=O)N 504555717b773ac84b06c60be8a60181 [0,2,0,0,0,0|2,0,0]=4 4444 B9R0.55 CN(C)CNCCC(=O)O f2f92c2697e6f0a8922b2579c214314b [0,2,0,0,0,0|1,0,0]=3 4445 B9R0.55 CN(C)CNCCS(=O)O 4ef931f141fca5447ae5f43af82cf939 [0,2,0,0,0,0|2,0,0]=4 4446 B9R0.55 CN(C)COCCC(=O)N c9c2979856d0490b92859d0005c68a59 [0,2,0,0,0,0|2,0,0]=4 4447 B9R0.55 CN(C)COCCC(=O)O 2dce7716534601e6d7ec7d3859ddf712 [0,2,0,0,0,0|1,0,0]=3 4448 B9R0.55 CS(=O)CCNCC(=O)N 5ff553f3a3e2971245c2dc36e6f09447 [0,2,0,0,0,0|2,0,0]=4 4449 B9R0.55 CS(=O)CCNCC(=O)O d14fa2db8bf0bb5b19c1028796e497cd [0,2,0,0,0,0|1,0,0]=3 4450 B9R0.55 CS(=O)CCOCC(=O)N d0e0955eadbed6d9fc578851725fa08f [0,2,0,0,0,0|2,0,0]=4 4451 B9R0.55 CS(=O)CCOCC(=O)O 52722d02a38e3b2fdc3782816d19eb63 [0,2,0,0,0,0|1,0,0]=3 4452 B9R0.55 CS(=O)CCOCS(=O)O 35e68ba315787f2d1d9ba7cf9ca62ef1 [0,2,0,0,0,0|2,0,0]=4 4453 B9R0.55 C[C@@H](F)COCCC(=O)N e8464d6d578a523cad90edd215e8b2e9 [0,2,0,0,0,0|1,0,0]=3 4454 B9R0.55 C[C@@H](F)COCCC(=O)O 34c340ab2328f74479e9fcc514019d74 [0,2,0,0,0,0|0,0,0]=2 4455 B9R0.55 C[C@@H](F)COCCS(=O)C 6e90b85e5baf4c1201bc6b4e4124755a [0,2,0,0,0,0|2,0,0]=4 4456 B9R0.55 C[C@@H](F)COCSC(=O)N 2ed42912b429b908aa1aea110ad3590d [0,2,0,0,0,0|2,0,0]=4 4457 B9R0.55 C[C@@H](O)CCNCC(=O)N e3e96ff2d37d9d270a814377a2485d08 [0,2,0,0,0,0|1,0,0]=3 4458 B9R0.55 C[C@@H](O)CCNCC(=O)O 6cb5155f5967c169f19da87fcc6fe141 [0,2,0,0,0,0|0,0,0]=2 4459 B9R0.55 C[C@@H](O)CCNC[C@@H](C)O 05433372829d767936120dc866c6fd9a [0,2,0,0,0,0|1,0,1]=4 4460 B9R0.55 C[C@@H](O)CCNC[N+](=O)[O-] 8fa1c6b9ab26252eb8e40f8a82238367 [0,2,0,0,0,0|1,0,1]=4 4461 B9R0.55 C[C@@H](O)CNCCC(=O)N 1baae5cd66b2e5daebca417d839cf2e7 [0,2,0,0,0,0|1,0,0]=3 4462 B9R0.55 C[C@@H](O)CNCCC(=O)O 89bce0b12fdfcc97280f28e831e10e33 [0,2,0,0,0,0|0,0,0]=2 4463 B9R0.55 C[C@@H](O)CNCCC(=S)N 304a0a8c77b645382287adee271faa95 [0,2,0,0,0,0|1,1,0]=4 4464 B9R0.55 C[C@@H](O)CNCCS(=O)C 463bb33a2bfd90c69de25ec1568941b9 [0,2,0,0,0,0|2,0,0]=4 4465 B9R0.55 C[C@@H](O)CNCCS(=O)O f44d4d0563eb1080e8281f6caa53356f [0,2,0,0,0,0|1,0,0]=3 4466 B9R0.55 C[C@@H](O)CNCSC(=O)N 6cf88afb0cb57579a3bff87c828816e4 [0,2,0,0,0,0|2,0,0]=4 4467 B9R0.55 C[C@H](F)COCCC(=O)N 8bb5fcd0562b02c1c8d088b599f0ea14 [0,2,0,0,0,0|1,0,0]=3 4468 B9R0.55 C[C@H](F)COCCC(=O)O c8248d4a649741bb9f67d6321d2c0f56 [0,2,0,0,0,0|0,0,0]=2 4469 B9R0.55 C[C@H](F)COCCS(=O)C e40783211d67611049749ed49c292e2d [0,2,0,0,0,0|2,0,0]=4 4470 B9R0.55 C[C@H](F)COCSC(=O)N c48c77d02a1569e92bb0fabf844a02b5 [0,2,0,0,0,0|2,0,0]=4 4471 B9R0.55 C[C@H](O)CCNCC(=O)N 36179dc6c044d28e22b9c0cf92811207 [0,2,0,0,0,0|1,0,0]=3 4472 B9R0.55 C[C@H](O)CCNCC(=O)O ee12b5275e40fded6221f388dcb65b90 [0,2,0,0,0,0|0,0,0]=2 4473 B9R0.55 C[C@H](O)CCNC[C@@H](C)O 2cd9cd5f675e3fd89e15c40caf6ecab5 [0,2,0,0,0,0|1,0,1]=4 4474 B9R0.55 C[C@H](O)CCNC[C@H](C)O ec14d3ded038ad4d41caddc7bd42b1ab [0,2,0,0,0,0|1,0,1]=4 4475 B9R0.55 C[C@H](O)CCNC[N+](=O)[O-] 5f18c7f4a40d0340d54a9512b6078d05 [0,2,0,0,0,0|1,0,1]=4 4476 B9R0.55 C[C@H](O)CNCCC(=O)N 424f4efc3eaaa1977a5002054a49e49e [0,2,0,0,0,0|1,0,0]=3 4477 B9R0.55 C[C@H](O)CNCCC(=O)O 1700bfa1d15f33a96885ae735b30c8fc [0,2,0,0,0,0|0,0,0]=2 4478 B9R0.55 C[C@H](O)CNCCC(=S)N ad63f9b27f35b237efa952c141a3ef86 [0,2,0,0,0,0|1,1,0]=4 4479 B9R0.55 C[C@H](O)CNCCS(=O)C bc66dc855190da97945877bf50b60c55 [0,2,0,0,0,0|2,0,0]=4 4480 B9R0.55 C[C@H](O)CNCCS(=O)O bd36c73b17d8b3f3b24b05470356739e [0,2,0,0,0,0|1,0,0]=3 4481 B9R0.55 C[C@H](O)CNCC[C@@H](C)O a83b9cef4b98b39c5db36346fb8a2f84 [0,2,0,0,0,0|1,0,1]=4 4482 B9R0.55 C[C@H](O)CNCSC(=O)N 27e6fad2a36fb5771169da36a955da01 [0,2,0,0,0,0|2,0,0]=4 4483 B9R0.55 NC(=O)CCNCC(=O)O 0548630220f8ca730429d726b818a8af [0,2,0,0,0,0|1,0,1]=4 4484 B9R0.55 NC(=O)CCNCC(F)F fbf87cc433d5622b945710a56a59ed92 [0,2,0,0,0,0|2,0,0]=4 4485 B9R0.55 NC(=O)CCOCC(=O)O e1e06485f8b6feaac7b45933a9f0ab14 [0,2,0,0,0,0|1,0,1]=4 4486 B9R0.55 NC(=O)CCOCC(F)F 205d77d6c551c8d10c495421ce67e82d [0,2,0,0,0,0|2,0,0]=4 4487 B9R0.55 NC(=O)CNCCC(=O)O 2ba606c8f6665fb6dce79962b1dc62fe [0,2,0,0,0,0|1,0,1]=4 4488 B9R0.55 NC(=O)CNCCC(F)F 97af3d719378917b727919503dc5da5e [0,2,0,0,0,0|2,0,0]=4 4489 B9R0.55 NC(=O)COCCC(=O)O 5888c606ee8d1d7646cca4bfa757c6be [0,2,0,0,0,0|1,0,1]=4 4490 B9R0.55 NC(=O)COCCC(F)F 35a709c0013e0992ff394f7485c3d470 [0,2,0,0,0,0|2,0,0]=4 4491 B9R0.55 NC(=S)CCNCC(=O)O 612ed27813c3086dd8e4bdb29636b2a4 [0,2,0,0,0,0|1,0,1]=4 4492 B9R0.55 NC(=S)COCCC(=O)O ebe51905059637175c84868e10b683b2 [0,2,0,0,0,0|1,0,1]=4 4493 B9R0.55 O=C(O)CCNCC(=O)O 43f65cc1fd2997c2e3d09ce76b5140c2 [0,2,0,0,0,0|1,0,1]=4 4494 B9R0.55 O=C(O)CCNCC(F)F 83bfb620b6c72f7ea03c8ba8a106a893 [0,2,0,0,0,0|1,0,0]=3 4495 B9R0.55 O=C(O)CCNC[N+](=O)[O-] aaa441c72228b6a93878e5f40b95518e [0,2,0,0,0,0|2,0,0]=4 4496 B9R0.55 O=C(O)CCOCC(=O)O 4d49b71bab3c022809a84bb2137ebcf3 [0,2,0,0,0,0|1,0,1]=4 4497 B9R0.55 O=C(O)CCOCC(F)F 6d860de1df08a6938b930a866fb948de [0,2,0,0,0,0|1,0,0]=3 4498 B9R0.55 O=C(O)CCOCS(=O)O a5aed27d8af157fdb76b17dd1d22fed6 [0,2,0,0,0,0|2,0,0]=4 4499 B9R0.55 O=C(O)CCOC[N+](=O)[O-] d9ebdfb16718f1d60c6cc919323abb2e [0,2,0,0,0,0|2,0,0]=4 4500 B9R0.55 O=C(O)CNCCC(F)F 36a1eacdaf75399080e933c29ff5f4e8 [0,2,0,0,0,0|1,0,0]=3 4501 B9R0.55 O=C(O)CNCCS(=O)O 888280bc8115e1a96669c6f2b9e6d21f [0,2,0,0,0,0|2,0,0]=4 4502 B9R0.55 O=C(O)COCCC(F)F e697405c68cd45ae6bdf74d2e05b079c [0,2,0,0,0,0|1,0,0]=3 4503 B9R0.55 O=C(O)COCC[N+](=O)[O-] 6c820a377a8eae7513d16b0e0031ec61 [0,2,0,0,0,0|2,0,0]=4 4504 B9R0.55 O=S(O)CCNCC(F)F 95ce7c8696b0e07a50f4be12ba27077e [0,2,0,0,0,0|2,0,0]=4 4505 B9R0.7 C=C(C)CNC(C)C(=O)O 71c7739e8b991e4abf0435840a700d0a [0,2,0,0,0,0|1,0,1]=4 4506 B9R0.7 C=C(C)CNC(O)C(=O)O 94b0a208e5c50adf06a4627f23c6b8af [0,2,0,0,0,0|1,0,1]=4 4507 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O e7bfbf33da3040405841b806d36ec309 [0,2,0,0,0,0|1,0,1]=4 4508 B9R0.7 C=C(C)CN[C@H](C)C(=O)O cd53bb67574651329e24959a91da937e [0,2,0,0,0,0|1,0,1]=4 4509 B9R0.7 C=C(C)COC(C)C(=O)O ed04993e273c116d7e5f18b49ab43ad1 [0,2,0,0,0,0|1,0,1]=4 4510 B9R0.7 C=C(C)CO[C@@H](C)C(=O)O a50f171d31d69d7b32f91370f5a6fc24 [0,2,0,0,0,0|1,0,1]=4 4511 B9R0.7 C=C(C)CO[C@H](C)C(=O)O c708914884c2538adc7cf2cddac67a9b [0,2,0,0,0,0|1,0,1]=4 4512 B9R0.7 C=C(COC(C)C)C(=O)O 08af2dc39e62b65e4314b95084281cb8 [0,2,0,0,0,0|1,0,1]=4 4513 B9R0.7 CC(=O)C(C)COC(C)C 1df3af33bb10f4130bd5a1f178c7f9bf [0,2,0,0,0,0|2,0,0]=4 4514 B9R0.7 CC(=O)C(C)NCC(=O)O 71016da385f2899dc86054b0d9f13d55 [0,2,0,0,0,0|1,0,1]=4 4515 B9R0.7 CC(=O)C(C)NCC(C)C 6c7b0a051632092ac486b69a0f1d681e [0,2,0,0,0,0|2,0,0]=4 4516 B9R0.7 CC(=O)C(C)NCC(C)O 356fd4969f309cd17504ab4716b94b6b [0,2,0,0,0,0|2,0,0]=4 4517 B9R0.7 CC(=O)C(C)NC[C@@H](C)O 4d15f3f2bfa0fb88c4597ad63dd7383a [0,2,0,0,0,0|2,0,0]=4 4518 B9R0.7 CC(=O)C(C)NC[C@H](C)O 9f16d7df284b4ed6122cd930dc772e91 [0,2,0,0,0,0|2,0,0]=4 4519 B9R0.7 CC(=O)C(C)OCC(=O)O 3f4f655e2a9645b79486aa39f2af2bc2 [0,2,0,0,0,0|1,0,1]=4 4520 B9R0.7 CC(=O)C(C)OCC(C)C b597db97ba4a1b37c01b4596aa7d0e32 [0,2,0,0,0,0|2,0,0]=4 4521 B9R0.7 CC(=O)C(C)OCC(C)F 4b45b9d962ab1d259ccbdd28caf6e6fa [0,2,0,0,0,0|2,0,0]=4 4522 B9R0.7 CC(=O)C(C)OCC(C)S 17627540e8ffdc051ce55846de2b0596 [0,2,0,0,0,0|2,0,0]=4 4523 B9R0.7 CC(=O)C(C)OC[C@@H](C)F 784436d88442fe992770881e7dbe9a49 [0,2,0,0,0,0|2,0,0]=4 4524 B9R0.7 CC(=O)C(C)OC[C@H](C)F 19debbdbd9a9952a7cd21699233057a4 [0,2,0,0,0,0|2,0,0]=4 4525 B9R0.7 CC(=O)CCN(C)C(C)C 953e9eb410ac9c63c02a43039dc6096e [0,2,0,0,0,0|2,0,0]=4 4526 B9R0.7 CC(=O)CNC(C)C(C)C 49d344dd635df977b0c6dee157c4688f [0,2,0,0,0,0|2,0,0]=4 4527 B9R0.7 CC(=O)COC(C)C(C)C 26f6e721def9fa22bc31decfa670c9f4 [0,2,0,0,0,0|2,0,0]=4 4528 B9R0.7 CC(=O)N(C)CCC(C)C 03460f6ce3739b97dbe7cb48c9ad3fa8 [0,2,0,0,0,0|2,0,0]=4 4529 B9R0.7 CC(=O)N(C)CCC(C)O a22cb8ae531445da2a841089e0f36632 [0,2,0,0,0,0|2,0,0]=4 4530 B9R0.7 CC(=O)NCC(O)C(C)C 9eb894e521c6def6d6887ec5adad728c [0,2,0,0,0,0|2,0,0]=4 4531 B9R0.7 CC(C)C(C)NCC(=O)N 29ed07977c474be87c0f6b20e5b20a1e [0,2,0,0,0,0|2,0,0]=4 4532 B9R0.7 CC(C)C(C)NCC(=O)O 91d49b00bc2f98925645db40aaffec23 [0,2,0,0,0,0|1,0,0]=3 4533 B9R0.7 CC(C)C(C)OCC(=O)N 19f85b2c4636dac9a2e7b5a079f3133e [0,2,0,0,0,0|2,0,0]=4 4534 B9R0.7 CC(C)C(C)OCC(=O)O 5453f2b0fdd958a9ddf47053a2bbc46a [0,2,0,0,0,0|1,0,0]=3 4535 B9R0.7 CC(C)C(C)OCS(=O)O 7646e27cd56e6ff28d9b085da3996564 [0,2,0,0,0,0|2,0,0]=4 4536 B9R0.7 CC(C)CNC(C)C(=O)N b020f738ddfc755301327996ecd3ef34 [0,2,0,0,0,0|2,0,0]=4 4537 B9R0.7 CC(C)CNC(C)C(=O)O 95f3f70da5c52d8fcff64d575b644cc6 [0,2,0,0,0,0|1,0,0]=3 4538 B9R0.7 CC(C)CNC(F)C(=O)N 0339fc1ba5c23da33be8a11e3517bd33 [0,2,0,0,0,0|2,0,0]=4 4539 B9R0.7 CC(C)CNC(F)C(=O)O 3711a9670c069b61c1c67d7849298242 [0,2,0,0,0,0|1,0,0]=3 4540 B9R0.7 CC(C)CNC(O)C(=O)O 56c2775cf664a9536ae56c2e0f8fb5b9 [0,2,0,0,0,0|1,0,0]=3 4541 B9R0.7 CC(C)CN[C@@H](C)C(=O)N 42140e145de8857ee09b4399c82aa419 [0,2,0,0,0,0|2,0,0]=4 4542 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 8a76b9132fa71c37af073ea71f14d908 [0,2,0,0,0,0|1,0,0]=3 4543 B9R0.7 CC(C)CN[C@@H](F)C(=O)O ce55718c38f59931fe6cf543c7b3ebcf [0,2,0,0,0,0|1,0,0]=3 4544 B9R0.7 CC(C)CN[C@H](C)C(=O)N 066a1edbe5493c95d2f93d2ae1adc4dc [0,2,0,0,0,0|2,0,0]=4 4545 B9R0.7 CC(C)CN[C@H](C)C(=O)O 3f45bea020626ccc8ec99438f12126a4 [0,2,0,0,0,0|1,0,0]=3 4546 B9R0.7 CC(C)COC(C)C(=O)N a1b7d9c719cf4ab29d4aaac34c154695 [0,2,0,0,0,0|2,0,0]=4 4547 B9R0.7 CC(C)COC(C)C(=O)O 9c7c1c3df2d77d8f248ac9d91af8f53d [0,2,0,0,0,0|1,0,0]=3 4548 B9R0.7 CC(C)COC(F)C(=O)N 58a672aeeaaa49bf3ad9373858067d5d [0,2,0,0,0,0|2,0,0]=4 4549 B9R0.7 CC(C)CO[C@@H](C)C(=O)N 848f1c557bc303adf7829c20e448f4c2 [0,2,0,0,0,0|2,0,0]=4 4550 B9R0.7 CC(C)CO[C@@H](C)C(=O)O fd5777f1e2b1dc60074ed75e7679298b [0,2,0,0,0,0|1,0,0]=3 4551 B9R0.7 CC(C)CO[C@H](C)C(=O)N e11f5adb143cf401b3a7137fa2dbca3e [0,2,0,0,0,0|2,0,0]=4 4552 B9R0.7 CC(C)CO[C@H](C)C(=O)O a69c599a7201e956cef10d92e6f06c1a [0,2,0,0,0,0|1,0,0]=3 4553 B9R0.7 CC(C)N(C)CCC(=O)N 8256a8ae89777524df51537a764a076a [0,2,0,0,0,0|2,0,0]=4 4554 B9R0.7 CC(C)N(C)CCC(=O)O 9a4c4fa3008269d113851da06265fa69 [0,2,0,0,0,0|1,0,0]=3 4555 B9R0.7 CC(C)NCC(C)C(=O)O 48514b1b15d268c29686084b8a8d2d09 [0,2,0,0,0,0|1,0,0]=3 4556 B9R0.7 CC(C)NCC(F)C(=O)O 861691fa5d69b6285a7fb70768f89e36 [0,2,0,0,0,0|1,0,0]=3 4557 B9R0.7 CC(C)NCC(O)C(=O)O 3c07f41ba869fad28628ce0e0eb9eb4d [0,2,0,0,0,0|1,0,0]=3 4558 B9R0.7 CC(C)NC[C@@H](C)C(=O)O eeb01880b97f7b36610e05c2883a075b [0,2,0,0,0,0|1,0,0]=3 4559 B9R0.7 CC(C)NC[C@@H](O)C(=O)O eb6cf8a2e9cb3af443f150092edec970 [0,2,0,0,0,0|1,0,0]=3 4560 B9R0.7 CC(C)NC[C@H](C)C(=O)O 5780cd753c39f96a6d86de7929d8156a [0,2,0,0,0,0|1,0,0]=3 4561 B9R0.7 CC(C)NC[C@H](O)C(=O)O 84ab021a3398610ee2c835c2429ab0e4 [0,2,0,0,0,0|1,0,0]=3 4562 B9R0.7 CC(C)OCC(C)C(=O)O c21654bda41cff34c31217652ae24bef [0,2,0,0,0,0|1,0,0]=3 4563 B9R0.7 CC(C)OC[C@@H](C)C(=O)O 2e5187b7924c997fdbb6d21d5f5bf05b [0,2,0,0,0,0|1,0,0]=3 4564 B9R0.7 CC(C)OC[C@H](C)C(=O)O ea6a1b5296e92549506a331182057b42 [0,2,0,0,0,0|1,0,0]=3 4565 B9R0.7 CC(C)[C@@H](C)NCC(=O)N 9220e196f63e8a0e26317093c632072b [0,2,0,0,0,0|2,0,0]=4 4566 B9R0.7 CC(C)[C@@H](C)NCC(=O)O b819017e8dd0621ca989217241b6bdfb [0,2,0,0,0,0|1,0,0]=3 4567 B9R0.7 CC(C)[C@@H](C)OCC(=O)N fe13bff61341db544e36d636b1021567 [0,2,0,0,0,0|2,0,0]=4 4568 B9R0.7 CC(C)[C@@H](C)OCC(=O)O 2c14ad2eaa4565aa59675b4818dba2b0 [0,2,0,0,0,0|1,0,0]=3 4569 B9R0.7 CC(C)[C@H](C)NCC(=O)N 0470ce1c169866c2b6bb7b0f1c4fa837 [0,2,0,0,0,0|2,0,0]=4 4570 B9R0.7 CC(C)[C@H](C)NCC(=O)O 8157acac1e55fcb782ad50d024aa8bbc [0,2,0,0,0,0|1,0,0]=3 4571 B9R0.7 CC(C)[C@H](C)OCC(=O)N 8404fea7b9dd14a61bd0a4841aa3bb72 [0,2,0,0,0,0|2,0,0]=4 4572 B9R0.7 CC(C)[C@H](C)OCC(=O)O f61a165279ed49217ae1638fda607d49 [0,2,0,0,0,0|1,0,0]=3 4573 B9R0.7 CC(F)COC(C)C(=O)N 98c8a00ae14f563f0337d21036fbe5be [0,2,0,0,0,0|2,0,0]=4 4574 B9R0.7 CC(F)COC(F)C(=O)N 614d72af69f61515fb9454c1456e53bc [0,2,0,0,0,0|2,0,0]=4 4575 B9R0.7 CC(F)CO[C@@H](C)C(=O)N c54fd31c4bae8b322ae459cd2520a987 [0,2,0,0,0,0|2,0,0]=4 4576 B9R0.7 CC(F)CO[C@H](C)C(=O)N 85ca1c7fc88910575dc46257e4d74687 [0,2,0,0,0,0|2,0,0]=4 4577 B9R0.7 CC(NCC(F)F)C(=O)O 30227a91f562e8a46383b161c0b5b082 [0,2,0,0,0,0|2,0,0]=4 4578 B9R0.7 CC(NCN(C)C)C(=O)O e058f611a7944b54a8e4a69fa3d68dff [0,2,0,0,0,0|2,0,0]=4 4579 B9R0.7 CC(NC[C@@H](C)O)C(=O)N b05d26f56a3efdbcc0d499a4224e1ecd [0,2,0,0,0,0|2,0,0]=4 4580 B9R0.7 CC(NC[C@@H](C)O)C(=O)O e809ce2c26bcb016686927f7b1c7a395 [0,2,0,0,0,0|1,0,0]=3 4581 B9R0.7 CC(NC[C@H](C)O)C(=O)N 43e41ab48426e924877af39f8aa73801 [0,2,0,0,0,0|2,0,0]=4 4582 B9R0.7 CC(NC[C@H](C)O)C(=O)O d508d1661713f75e41ed860ce7457545 [0,2,0,0,0,0|1,0,0]=3 4583 B9R0.7 CC(O)C(C)NCC(=O)N 7496509e19670bdc224e84ca74f1c1f7 [0,2,0,0,0,0|2,0,0]=4 4584 B9R0.7 CC(O)C(C)NCC(=O)O 6fd6b2ea1088c99dba5e071db522af6e [0,2,0,0,0,0|1,0,0]=3 4585 B9R0.7 CC(O)CNC(C)C(=O)N b2f2cfe7a799cc612bbbea6ed9541147 [0,2,0,0,0,0|2,0,0]=4 4586 B9R0.7 CC(O)CNC(C)C(=O)O 8f378c3b2577a664e81978bed6d085ad [0,2,0,0,0,0|1,0,0]=3 4587 B9R0.7 CC(O)CNC(F)C(=O)N edc47809a3355df77fff04bfe011e245 [0,2,0,0,0,0|2,0,0]=4 4588 B9R0.7 CC(O)CNC(O)C(=O)O 5e6094d83c3524909868e222ec813376 [0,2,0,0,0,0|1,0,0]=3 4589 B9R0.7 CC(O)CN[C@@H](C)C(=O)N 2acb655df554015ce43b7d2b5d827484 [0,2,0,0,0,0|2,0,0]=4 4590 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 5ddc35dc14ba5aa589c4aa25f6e3299a [0,2,0,0,0,0|1,0,0]=3 4591 B9R0.7 CC(O)CN[C@H](C)C(=O)N 4fc43cefacc3f018d3258630cc8a3f43 [0,2,0,0,0,0|2,0,0]=4 4592 B9R0.7 CC(O)CN[C@H](C)C(=O)O 4d91ad475557f6f0126eddf20ec91d26 [0,2,0,0,0,0|1,0,0]=3 4593 B9R0.7 CC(OCC(=O)O)C(F)F aa7277d54702b7135f99188aff0085ff [0,2,0,0,0,0|2,0,0]=4 4594 B9R0.7 CC(OCC(F)F)C(=O)O e5edbf28279b0de930381832beee983b [0,2,0,0,0,0|2,0,0]=4 4595 B9R0.7 CC(OCN(C)C)C(=O)O 830922da04f3fb2cfe42d9f413964017 [0,2,0,0,0,0|2,0,0]=4 4596 B9R0.7 CC(OC[C@@H](C)F)C(=O)N aa25dffa85057ef5176776ad82f0a677 [0,2,0,0,0,0|2,0,0]=4 4597 B9R0.7 CC(OC[C@H](C)F)C(=O)N f14dd6863ef2a8fca3946ee24735fd1d [0,2,0,0,0,0|2,0,0]=4 4598 B9R0.7 CC(S)C(C)OCC(=O)N e54b95b00c0da3ace09de2f308d0efaa [0,2,0,0,0,0|2,0,0]=4 4599 B9R0.7 CC(S)C(C)OCC(=O)O 1c77a3f15c2b77600079151ecb5a4c83 [0,2,0,0,0,0|1,0,0]=3 4600 B9R0.7 CC(S)COC(C)C(=O)N 09a06861be9e8ad49b4c6bdb7fe03de6 [0,2,0,0,0,0|2,0,0]=4 4601 B9R0.7 CC(S)COC(F)C(=O)N 9f518d1e1cee86b0aa01924652d21137 [0,2,0,0,0,0|2,0,0]=4 4602 B9R0.7 CC(S)CO[C@@H](C)C(=O)N a1c5c8427fce425ae0a19b1122bc7cb8 [0,2,0,0,0,0|2,0,0]=4 4603 B9R0.7 CC(S)CO[C@H](C)C(=O)N ed5ae73cd216eceac126282692a31b49 [0,2,0,0,0,0|2,0,0]=4 4604 B9R0.7 CN(C)CNC(O)C(=O)O 514e27cf974abcb81fa8750ea67f9650 [0,2,0,0,0,0|2,0,0]=4 4605 B9R0.7 C[C@@H](F)COC(F)C(=O)N 143a987405ccdf9ef63ab99e0a6ac4fe [0,2,0,0,0,0|2,0,0]=4 4606 B9R0.7 C[C@@H](F)CO[C@H](C)C(=O)N 85186707520c9bdcceaaeeb0dd6bdd98 [0,2,0,0,0,0|2,0,0]=4 4607 B9R0.7 C[C@@H](NCC(=O)O)C(F)F d6c0d1283b99f71a9cedcfe517756b54 [0,2,0,0,0,0|2,0,0]=4 4608 B9R0.7 C[C@@H](NCC(F)F)C(=O)O b2e3e342b09fa553ce7a034846648c5f [0,2,0,0,0,0|2,0,0]=4 4609 B9R0.7 C[C@@H](NCN(C)C)C(=O)O b71bf2ae1b9b1319ba65f4a4616917da [0,2,0,0,0,0|2,0,0]=4 4610 B9R0.7 C[C@@H](O)CNC(F)C(=O)N 593851b37a3ea210c7783cb07d8d2d4f [0,2,0,0,0,0|2,0,0]=4 4611 B9R0.7 C[C@@H](O)CNC(O)C(=O)O 53522750083f40c42a75c8d1a51d10e1 [0,2,0,0,0,0|1,0,0]=3 4612 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 85ad88f174223beb7c09005bbe91d8ed [0,2,0,0,0,0|2,0,0]=4 4613 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)O 6c09363025908b429c9f6a9c87360a44 [0,2,0,0,0,0|1,0,0]=3 4614 B9R0.7 C[C@@H](OCC(F)F)C(=O)O 6b29f1fb1d84cecb31689a877498506f [0,2,0,0,0,0|2,0,0]=4 4615 B9R0.7 C[C@@H](OCN(C)C)C(=O)O 11c670991f4825d9b999539a20aaf0a4 [0,2,0,0,0,0|2,0,0]=4 4616 B9R0.7 C[C@H](F)COC(F)C(=O)N 21aa3b8be7d08c844234a8e13c1a3ff8 [0,2,0,0,0,0|2,0,0]=4 4617 B9R0.7 C[C@H](F)CO[C@@H](C)C(=O)N 1d1e26f31b0ede8a1a4173619d58d1a9 [0,2,0,0,0,0|2,0,0]=4 4618 B9R0.7 C[C@H](F)CO[C@H](C)C(=O)N 4978980db04779f6f9d07f2c78a33b9e [0,2,0,0,0,0|2,0,0]=4 4619 B9R0.7 C[C@H](NCC(=O)O)C(F)F ee792477aa9ffbfb10c972e3ed44479d [0,2,0,0,0,0|2,0,0]=4 4620 B9R0.7 C[C@H](NCC(F)F)C(=O)O 251d020a984c1cb72d88d234a8a17a99 [0,2,0,0,0,0|2,0,0]=4 4621 B9R0.7 C[C@H](NCN(C)C)C(=O)O 890cc561e2705dfd45b43ad18d204e90 [0,2,0,0,0,0|2,0,0]=4 4622 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)N 9186b0bf879390b7e6b1216544f3941d [0,2,0,0,0,0|2,0,0]=4 4623 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O e4a79b78aaf76db8d949999ecfcb00bc [0,2,0,0,0,0|1,0,0]=3 4624 B9R0.7 C[C@H](O)CNC(F)C(=O)N f51b654f9028e5bb7d95c497de0982c6 [0,2,0,0,0,0|2,0,0]=4 4625 B9R0.7 C[C@H](O)CNC(O)C(=O)O 2718c7b8bbc967e12d5b2f298426a47e [0,2,0,0,0,0|1,0,0]=3 4626 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)N 522623e7e0ef55aac4b5cf57f54b5583 [0,2,0,0,0,0|2,0,0]=4 4627 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)O 6a6c67ca6662759fc2db97e0c2faf3d9 [0,2,0,0,0,0|1,0,0]=3 4628 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)N 90fad3e449890eb1c9ace917dfcc4c86 [0,2,0,0,0,0|2,0,0]=4 4629 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)O 43b98191e964d18ae40cd9f3d82f80ac [0,2,0,0,0,0|1,0,0]=3 4630 B9R0.7 C[C@H](OCC(F)F)C(=O)O 9fe44fc5de2fc8e2e139e64adb563814 [0,2,0,0,0,0|2,0,0]=4 4631 B9R0.7 C[C@H](OCN(C)C)C(=O)O 9b0ce417c0ddb18430edfd9d891dd393 [0,2,0,0,0,0|2,0,0]=4 4632 B9R0.7 C[C@H](OC[C@@H](C)F)C(=O)N 8ec6553325b7f67e8d559bbcc89e4eac [0,2,0,0,0,0|2,0,0]=4 4633 B9R0.7 O=C(O)C(O)NCC(F)F 8aaf22bb2a60dc1efd0ad1eda063e065 [0,2,0,0,0,0|2,0,0]=4 4634 B9R0.13 C#CC(OCCC)C(=O)O dd15e5c0f35b2a3183ad7ea7f1abbd0f [0,2,0,0,0,0|1,0,0]=3 4635 B9R0.13 C#CC(OCCF)C(=O)O f84050bdafe0fa3c5267d49c74d8fc40 [0,2,0,0,0,0|2,0,0]=4 4636 B9R0.13 C#CC(OCCS)C(=O)O 9158ed7f98f696de8788484a9217c2b7 [0,2,0,0,0,0|2,0,0]=4 4637 B9R0.13 C#CC(OCOC)C(=O)O b51a68b0f2ba429ffbc7c625fd3a4334 [0,2,0,0,0,0|2,0,0]=4 4638 B9R0.13 C#CC(OCSC)C(=O)O 01344e113df06301e50e38b0d289844d [0,2,0,0,0,0|2,0,0]=4 4639 B9R0.13 C/C=C(\OCCC)/C(=O)O 805835d2fd7a7175bc2df69132bafc8c [0,2,0,0,0,0|1,0,1]=4 4640 B9R0.13 C=CC(NCCC)C(=O)O a2cd77405add7f9bda10928ee4ee78ab [0,2,0,0,0,0|1,0,0]=3 4641 B9R0.13 C=CC(NCCF)C(=O)O 2274d5d013dbde9e7754c74741150d4b [0,2,0,0,0,0|2,0,0]=4 4642 B9R0.13 C=CC(NCCO)C(=O)O 8aa13b59b3196d2c99a7f409c2a0117a [0,2,0,0,0,0|2,0,0]=4 4643 B9R0.13 C=CC(NCCS)C(=O)O 826bd1dc7ddc11b4b881bd76293ff91d [0,2,0,0,0,0|2,0,0]=4 4644 B9R0.13 C=CC(NCOC)C(=O)O 925eb70f3b3184ff26582e650163f37b [0,2,0,0,0,0|2,0,0]=4 4645 B9R0.13 C=CC(NCSC)C(=O)O 42b13b1d6b85d5c40bef45753bd0f82d [0,2,0,0,0,0|2,0,0]=4 4646 B9R0.13 C=C[C@H](NCCC)C(=O)O 9277832a0fa493055dd9f58c3067ce63 [0,2,0,0,0,0|1,0,0]=3 4647 B9R0.13 C=C[C@H](NCCF)C(=O)O d7cdefe6db65838182333b1049775429 [0,2,0,0,0,0|2,0,0]=4 4648 B9R0.13 C=C[C@H](NCCO)C(=O)O 9e8aff036e8322c992299cc5f158d332 [0,2,0,0,0,0|2,0,0]=4 4649 B9R0.13 C=C[C@H](NCCS)C(=O)O f0a6ea05df12ce6b900461830ee807d7 [0,2,0,0,0,0|2,0,0]=4 4650 B9R0.13 C=C[C@H](NCOC)C(=O)O 94fc09154eaa55a3d1e41fb09517ffef [0,2,0,0,0,0|2,0,0]=4 4651 B9R0.13 C=C[C@H](NCSC)C(=O)O d81e78bcd81ed207e1ffa22caf957f20 [0,2,0,0,0,0|2,0,0]=4 4652 B9R0.13 CCC(NCCBr)C(=O)O 60b3a5cec1771b7f3abdb67726cb92d4 [0,2,0,0,0,0|2,0,0]=4 4653 B9R0.13 CCC(NCCF)C(=O)O f00d042b671287c74e43c494b5cb091f [0,2,0,0,0,0|2,0,0]=4 4654 B9R0.13 CCC(NCCI)C(=O)O e2ba567d8906f9f386d4d3c7d9da02d9 [0,2,0,0,0,0|2,0,0]=4 4655 B9R0.13 CCC(NCCO)C(=O)O 1243b32011dafc3df4fb73416c3d434f [0,2,0,0,0,0|2,0,0]=4 4656 B9R0.13 CCC(NCCS)C(=O)O cf45ba956b95450629f68d6bc51c2075 [0,2,0,0,0,0|2,0,0]=4 4657 B9R0.13 CCC(NCOC)C(=O)O 29bdf399d9540f3750b5dbde7f57f2de [0,2,0,0,0,0|2,0,0]=4 4658 B9R0.13 CCC(NCSC)C(=O)O d79342730ef2d3fa4148bd4194f0c1b1 [0,2,0,0,0,0|2,0,0]=4 4659 B9R0.13 CCC(OCCF)C(=O)O c00ad7906612369696071846d56d58d6 [0,2,0,0,0,0|2,0,0]=4 4660 B9R0.13 CCC(OCCS)C(=O)O e3af5c4fd79a95335149ab48b00e4e02 [0,2,0,0,0,0|2,0,0]=4 4661 B9R0.13 CCC(OCOC)C(=O)O e6b9c845d6bb5735a4f158a19827bbda [0,2,0,0,0,0|2,0,0]=4 4662 B9R0.13 CCC(OCSC)C(=O)O ccd4ff15a6e6eec5f462ba7c168ece60 [0,2,0,0,0,0|2,0,0]=4 4663 B9R0.13 CCCCN(CC)C(=O)C 6dcc903ab553d1d8d7c18d1a9b5cfc71 [0,2,0,0,0,0|2,0,0]=4 4664 B9R0.13 CCCNC(C#N)C(=O)N b6a8dcb80899a6172537883ce49d6668 [0,2,0,0,0,0|2,0,0]=4 4665 B9R0.13 CCCNC(CC)C(=O)N 667caeb7a94f8d9ae9b36913fbb97e0d [0,2,0,0,0,0|2,0,0]=4 4666 B9R0.13 CCCNC(CC)C(=O)O f069c353f507c75e209c8348074371d9 [0,2,0,0,0,0|1,0,0]=3 4667 B9R0.13 CCCNC(CCl)C(=O)O 83d744b2a78bac7ef1fc1246b7f75153 [0,2,0,0,0,0|1,0,0]=3 4668 B9R0.13 CCCNC(CF)C(=O)O 2674f23278ea23c1a3fd9e79cc64f417 [0,2,0,0,0,0|1,0,0]=3 4669 B9R0.13 CCCNC(CO)C(=O)N 9c2b75e44bd4651497cab3304501dc4c [0,2,0,0,0,0|2,0,0]=4 4670 B9R0.13 CCCNC(CO)C(=O)O f78fc4da322d7ff361a6dd4f22023970 [0,2,0,0,0,0|1,0,0]=3 4671 B9R0.13 CCCNC(CS)C(=O)O 7ab935d1954160e0fa48d269e73468b7 [0,2,0,0,0,0|1,0,0]=3 4672 B9R0.13 CCCN[C@@H](CC)C(=O)N bb80f4d26611993ee0bd284d09039684 [0,2,0,0,0,0|2,0,0]=4 4673 B9R0.13 CCCN[C@@H](CC)C(=O)O 4af529648ddb980425c401ff5a4b13f1 [0,2,0,0,0,0|1,0,0]=3 4674 B9R0.13 CCCN[C@@H](CCl)C(=O)O dab0665f81f97191818ff25180caa069 [0,2,0,0,0,0|1,0,0]=3 4675 B9R0.13 CCCN[C@@H](CO)C(=O)N 6615855b472bab65ebca7f72bd3cddd9 [0,2,0,0,0,0|2,0,0]=4 4676 B9R0.13 CCCN[C@@H](CO)C(=O)O ddf3b03c8510fbc5ca4e2daff87a28f4 [0,2,0,0,0,0|1,0,0]=3 4677 B9R0.13 CCCN[C@@H](CS)C(=O)O e3a74b3aff5bc12b4b6807001695fe2d [0,2,0,0,0,0|1,0,0]=3 4678 B9R0.13 CCCN[C@H](CC)C(=O)O 61d39a4878aa39f0678d7acfbc68cb8c [0,2,0,0,0,0|1,0,0]=3 4679 B9R0.13 CCCN[C@H](CCl)C(=O)O 4dc35c1012b0d0bb7903731dd1c16a51 [0,2,0,0,0,0|1,0,0]=3 4680 B9R0.13 CCCN[C@H](CO)C(=O)O 8cf55344ec2a8ea73259764a0785501b [0,2,0,0,0,0|1,0,0]=3 4681 B9R0.13 CCCN[C@H](CS)C(=O)O a0487dcbe4739001e1f7043af5abb830 [0,2,0,0,0,0|1,0,0]=3 4682 B9R0.13 CCCOC(CC)C(=O)N 9fda2f7e2d6a6a11459fa617236d25bc [0,2,0,0,0,0|2,0,0]=4 4683 B9R0.13 CCCOC(CC)C(=O)O 3313398866cda9d19c5a77c88cc36eb1 [0,2,0,0,0,0|1,0,0]=3 4684 B9R0.13 CCCO[C@@H](CC)C(=O)O cc9a140b3b6be041090ec10f8ce0cd25 [0,2,0,0,0,0|1,0,0]=3 4685 B9R0.13 CCCO[C@H](CC)C(=O)O 8d217e6f2224fafe55f85fa98a7934d5 [0,2,0,0,0,0|1,0,0]=3 4686 B9R0.13 CCCO[C@H](CF)C(=O)O 29086d9c9cd694f8fc4088578e463f2a [0,2,0,0,0,0|1,0,0]=3 4687 B9R0.13 CCNCC(C#N)C(=O)O ed3bc2e351117cd0351a1e7f1428a95d [0,2,0,0,0,0|1,0,0]=3 4688 B9R0.13 CCNC[C@H](CC)C(=O)O cffe2fea12875251a32367199af5f540 [0,2,0,0,0,0|1,0,0]=3 4689 B9R0.13 CCNC[C@H](CO)C(=O)O a286bd4559b6a8b5982e2ab8701c93f1 [0,2,0,0,0,0|1,0,0]=3 4690 B9R0.13 CC[C@@H](CNCF)C(=O)O 981bb3911586f255abbfb5961cfb78eb [0,2,0,0,0,0|2,0,0]=4 4691 B9R0.13 CC[C@@H](CNCO)C(=O)O 68f9ed5f73d960fd989ccce413eebff8 [0,2,0,0,0,0|2,0,0]=4 4692 B9R0.13 CC[C@@H](NCCBr)C(=O)O bb6c187dee35d2ba390554d16dc4aa9c [0,2,0,0,0,0|2,0,0]=4 4693 B9R0.13 CC[C@@H](NCCF)C(=O)O b0e08cededed6f6c7a36fd6ec86e9e11 [0,2,0,0,0,0|2,0,0]=4 4694 B9R0.13 CC[C@@H](NCCI)C(=O)O 6c91d06ea51585e4b95ef8a66d270abe [0,2,0,0,0,0|2,0,0]=4 4695 B9R0.13 CC[C@@H](NCCO)C(=O)O e99f1fcc90431ea7ee28ab87555e864d [0,2,0,0,0,0|2,0,0]=4 4696 B9R0.13 CC[C@@H](NCCS)C(=O)O 14a5bfc0158c777ba30bd0f0cd7926c2 [0,2,0,0,0,0|2,0,0]=4 4697 B9R0.13 CC[C@@H](NCOC)C(=O)O afdab15192460f324c62f62289f5efe2 [0,2,0,0,0,0|2,0,0]=4 4698 B9R0.13 CC[C@@H](NCSC)C(=O)O 5454d4f202e581954955a2783886044d [0,2,0,0,0,0|2,0,0]=4 4699 B9R0.13 CC[C@@H](OCCF)C(=O)O 4399f51e9aa45bac3aec0e2f73a04ce4 [0,2,0,0,0,0|2,0,0]=4 4700 B9R0.13 CC[C@@H](OCCS)C(=O)O 66d55e860e2b27d00267a7f39525c672 [0,2,0,0,0,0|2,0,0]=4 4701 B9R0.13 CC[C@@H](OCOC)C(=O)O eaf672c9caead4abfc19e8f6a11051c8 [0,2,0,0,0,0|2,0,0]=4 4702 B9R0.13 CC[C@@H](OCSC)C(=O)O f1b1aa50116639e72a339c9ead522291 [0,2,0,0,0,0|2,0,0]=4 4703 B9R0.13 CC[C@H](NCCBr)C(=O)O e8e22504c7ea9404e3c376c4c793bb5c [0,2,0,0,0,0|2,0,0]=4 4704 B9R0.13 CC[C@H](NCCF)C(=O)O d1f8996afde19b0565d59a42f964550f [0,2,0,0,0,0|2,0,0]=4 4705 B9R0.13 CC[C@H](NCCI)C(=O)O 3a6efc8b485391f685b4ae297821e21f [0,2,0,0,0,0|2,0,0]=4 4706 B9R0.13 CC[C@H](NCCO)C(=O)O 1c6b8d756acf8f1db276283748fda969 [0,2,0,0,0,0|2,0,0]=4 4707 B9R0.13 CC[C@H](NCCS)C(=O)O c38a05c741bf6a8c2505ebb00a626765 [0,2,0,0,0,0|2,0,0]=4 4708 B9R0.13 CC[C@H](NCOC)C(=O)O 8ff3b44341478cbcc46f6485e982ee40 [0,2,0,0,0,0|2,0,0]=4 4709 B9R0.13 CC[C@H](NCSC)C(=O)O 215e8fc56b12daa5ff5365fc69da45a2 [0,2,0,0,0,0|2,0,0]=4 4710 B9R0.13 CC[C@H](OCCF)C(=O)O 516044a5d658494039eb40ae3a9e3d22 [0,2,0,0,0,0|2,0,0]=4 4711 B9R0.13 CC[C@H](OCCS)C(=O)O d0432edc92842a426feefec6e58ff53e [0,2,0,0,0,0|2,0,0]=4 4712 B9R0.13 CC[C@H](OCOC)C(=O)O 986ecf86f31a1bbe015cd3e780e6ebfd [0,2,0,0,0,0|2,0,0]=4 4713 B9R0.13 CC[C@H](OCSC)C(=O)O f2917a5a83a3472b302dcc248b0acae0 [0,2,0,0,0,0|2,0,0]=4 4714 B9R0.13 COCNC(CCl)C(=O)O bc2b7911e3ffc38a92b959db45b56fcb [0,2,0,0,0,0|2,0,0]=4 4715 B9R0.13 COCNC(CF)C(=O)O 17ec9c581488b2178360a6bce64540b8 [0,2,0,0,0,0|2,0,0]=4 4716 B9R0.13 COCNC(CO)C(=O)O 1874cc910ed4120aa974979dfc2178b5 [0,2,0,0,0,0|2,0,0]=4 4717 B9R0.13 COCNC(CS)C(=O)O 41e8540589127498359276d1b0f8c4ba [0,2,0,0,0,0|2,0,0]=4 4718 B9R0.13 COCN[C@@H](CCl)C(=O)O 93b9c2b6ee76ff370f501f28f0ac1d50 [0,2,0,0,0,0|2,0,0]=4 4719 B9R0.13 COCN[C@@H](CO)C(=O)O f3f941c7e24dfb49cce56dee2c18d303 [0,2,0,0,0,0|2,0,0]=4 4720 B9R0.13 COCN[C@@H](CS)C(=O)O 8da3d51ce198a49de27ff81351b0b750 [0,2,0,0,0,0|2,0,0]=4 4721 B9R0.13 COCN[C@H](CCl)C(=O)O dbb070c5669c8a55f00439f1bd0b8b35 [0,2,0,0,0,0|2,0,0]=4 4722 B9R0.13 COCN[C@H](CO)C(=O)O 0f9a5cca444ea82fb1e59bae4feb5296 [0,2,0,0,0,0|2,0,0]=4 4723 B9R0.13 COCN[C@H](CS)C(=O)O d62af15c7a5bd0b261774146bb080d2c [0,2,0,0,0,0|2,0,0]=4 4724 B9R0.13 COCOC(CF)C(=O)O 94e92cfb4c12fe57f8acc7ee6e110092 [0,2,0,0,0,0|2,0,0]=4 4725 B9R0.13 COCO[C@H](CF)C(=O)O 2f275ecca5c84160a3ea0d26836161b7 [0,2,0,0,0,0|2,0,0]=4 4726 B9R0.13 CSCNC(CCl)C(=O)O 8b432fd4d7ab94eb2fef292cec2f8574 [0,2,0,0,0,0|2,0,0]=4 4727 B9R0.13 CSCNC(CF)C(=O)O 87551dde60a2852bcfabb1f782c8f400 [0,2,0,0,0,0|2,0,0]=4 4728 B9R0.13 CSCNC(CO)C(=O)O 26eca2ee3edb87492e36d46cf8f563c3 [0,2,0,0,0,0|2,0,0]=4 4729 B9R0.13 CSCNC(CS)C(=O)O 432d322a6e29321faf1a7699f31504fc [0,2,0,0,0,0|2,0,0]=4 4730 B9R0.13 CSCN[C@@H](CCl)C(=O)O 4605fb1c2c2e1fd8b9ba8a49da9e5191 [0,2,0,0,0,0|2,0,0]=4 4731 B9R0.13 CSCN[C@@H](CO)C(=O)O e37d633930a82736e21ad053cf8e946e [0,2,0,0,0,0|2,0,0]=4 4732 B9R0.13 CSCN[C@@H](CS)C(=O)O 215b1839987bf53e53872012d9450e77 [0,2,0,0,0,0|2,0,0]=4 4733 B9R0.13 CSCN[C@H](CCl)C(=O)O be9e78e0fd6beb1acc74e9f9a31792b1 [0,2,0,0,0,0|2,0,0]=4 4734 B9R0.13 CSCN[C@H](CO)C(=O)O 6102b7530d697e4e2c526f3c409a0740 [0,2,0,0,0,0|2,0,0]=4 4735 B9R0.13 CSCN[C@H](CS)C(=O)O bbfe372e1340b90367d8d9611995aed6 [0,2,0,0,0,0|2,0,0]=4 4736 B9R0.13 CSCO[C@H](CF)C(=O)O 76403544799d82ad1e367aa1ebec3c9c [0,2,0,0,0,0|2,0,0]=4 4737 B9R0.13 N#CC(CNCF)C(=O)O 4f3f3645b3605c436c28e16657dd7192 [0,2,0,0,0,0|2,0,0]=4 4738 B9R0.13 N#CC(CNCO)C(=O)O 1f16e1d299e63a9e18a808f83ddc1938 [0,2,0,0,0,0|2,0,0]=4 4739 B9R0.13 O=C(O)C(CCl)NCCF 2c356734ffa57a8ab01a6197f99924a8 [0,2,0,0,0,0|2,0,0]=4 4740 B9R0.13 O=C(O)C(CCl)NCCO 89432e1e94632c718ca9304944935825 [0,2,0,0,0,0|2,0,0]=4 4741 B9R0.13 O=C(O)C(CCl)NCCS 8728dc05b732117ec73cc397bf0eea04 [0,2,0,0,0,0|2,0,0]=4 4742 B9R0.13 O=C(O)C(CF)NCCBr d2ef9044f513a02ba584c8c7c0202984 [0,2,0,0,0,0|2,0,0]=4 4743 B9R0.13 O=C(O)C(CF)NCCF e02745f04a0c3033fc1180de8def0881 [0,2,0,0,0,0|2,0,0]=4 4744 B9R0.13 O=C(O)C(CF)NCCI ce2ffae01d82a5b2c282c3f0433546cb [0,2,0,0,0,0|2,0,0]=4 4745 B9R0.13 O=C(O)C(CF)NCCO ef1748e871a96430d1bbfcaeeb0406e1 [0,2,0,0,0,0|2,0,0]=4 4746 B9R0.13 O=C(O)C(CF)NCCS 137089b9205aa24aa4d053cc0acdb432 [0,2,0,0,0,0|2,0,0]=4 4747 B9R0.13 O=C(O)C(CO)NCCBr 6abeca60a692b77b8cafe2e1d5024709 [0,2,0,0,0,0|2,0,0]=4 4748 B9R0.13 O=C(O)C(CO)NCCF 42b897e2015457b5f1a8278cc6e9f98f [0,2,0,0,0,0|2,0,0]=4 4749 B9R0.13 O=C(O)C(CO)NCCI c013faa7207d1068c214275e44ad694f [0,2,0,0,0,0|2,0,0]=4 4750 B9R0.13 O=C(O)C(CO)NCCO bfe41a164d92a5f6b0d206689c9a7fc3 [0,2,0,0,0,0|2,0,0]=4 4751 B9R0.13 O=C(O)C(CO)NCCS d8b54897a765204f458bbb487a30d60f [0,2,0,0,0,0|2,0,0]=4 4752 B9R0.13 O=C(O)C(CS)NCCF 0cc74e5ec9173c5198c65cca795a074f [0,2,0,0,0,0|2,0,0]=4 4753 B9R0.13 O=C(O)C(CS)NCCO b71131bc323b098a63fc9bcd8fee3114 [0,2,0,0,0,0|2,0,0]=4 4754 B9R0.13 O=C(O)C(CS)NCCS 7fd89674f7e9e714139863244612756e [0,2,0,0,0,0|2,0,0]=4 4755 B9R0.13 O=C(O)[C@@H](CCl)NCCF bf6c3b5146c5ba94fddf07b4e8dfc4b0 [0,2,0,0,0,0|2,0,0]=4 4756 B9R0.13 O=C(O)[C@@H](CCl)NCCO 48085f9ce948efd84392bda3bd2573c9 [0,2,0,0,0,0|2,0,0]=4 4757 B9R0.13 O=C(O)[C@@H](CCl)NCCS 83b06f2b39fdaa5d599bc42ec139eddd [0,2,0,0,0,0|2,0,0]=4 4758 B9R0.13 O=C(O)[C@@H](CF)OCCF 14b26ccffb963c47140936305b5b668e [0,2,0,0,0,0|2,0,0]=4 4759 B9R0.13 O=C(O)[C@@H](CF)OCCS 3e7c3fe0277bb5a08c4236554d2575ce [0,2,0,0,0,0|2,0,0]=4 4760 B9R0.13 O=C(O)[C@@H](CO)CNCF 3f8b47e92de8a93bfb76ae51f604bd81 [0,2,0,0,0,0|2,0,0]=4 4761 B9R0.13 O=C(O)[C@@H](CO)CNCO 6e77cb6bdff4ed28b745627da4a136b5 [0,2,0,0,0,0|2,0,0]=4 4762 B9R0.13 O=C(O)[C@@H](CO)NCCBr e4699c050f38deacbed430f05c1ea3a2 [0,2,0,0,0,0|2,0,0]=4 4763 B9R0.13 O=C(O)[C@@H](CO)NCCF 88040c617eda2b79543ae30e3e2d3412 [0,2,0,0,0,0|2,0,0]=4 4764 B9R0.13 O=C(O)[C@@H](CO)NCCI 853e5f6e4d311f764b49240c6b77fe80 [0,2,0,0,0,0|2,0,0]=4 4765 B9R0.13 O=C(O)[C@@H](CO)NCCO 670f1f2a54107e4d4bcaf78e06749564 [0,2,0,0,0,0|2,0,0]=4 4766 B9R0.13 O=C(O)[C@@H](CO)NCCS bfe9a49ff89df4bb89311e9014748431 [0,2,0,0,0,0|2,0,0]=4 4767 B9R0.13 O=C(O)[C@@H](CS)NCCF 546e80fe98f67cd7783a6a9ebc57d5e8 [0,2,0,0,0,0|2,0,0]=4 4768 B9R0.13 O=C(O)[C@@H](CS)NCCO 9a6c592976d8d96c63cb2ba59dcb7659 [0,2,0,0,0,0|2,0,0]=4 4769 B9R0.13 O=C(O)[C@@H](CS)NCCS efa76c163b3c2e732eca5b20d281a7ee [0,2,0,0,0,0|2,0,0]=4 4770 B9R0.13 O=C(O)[C@H](CCl)NCCF 79e348ea5069b9361756829012479e16 [0,2,0,0,0,0|2,0,0]=4 4771 B9R0.13 O=C(O)[C@H](CCl)NCCO 5ea34cedfe171ab9b8d182198555b88b [0,2,0,0,0,0|2,0,0]=4 4772 B9R0.13 O=C(O)[C@H](CCl)NCCS 5cb50d3894aae6d654c60b5efce01c14 [0,2,0,0,0,0|2,0,0]=4 4773 B9R0.13 O=C(O)[C@H](CO)NCCBr 393e61a19466d6012b105acb08f3cad8 [0,2,0,0,0,0|2,0,0]=4 4774 B9R0.13 O=C(O)[C@H](CO)NCCF c420e3fd7ac084e98ac03a57cb0ac3a1 [0,2,0,0,0,0|2,0,0]=4 4775 B9R0.13 O=C(O)[C@H](CO)NCCI cd1d0d14d509ac97a9123fc02de0d406 [0,2,0,0,0,0|2,0,0]=4 4776 B9R0.13 O=C(O)[C@H](CO)NCCO 9f5445a8f6084763a850ab50de0e58dd [0,2,0,0,0,0|2,0,0]=4 4777 B9R0.13 O=C(O)[C@H](CO)NCCS 20b558cef6374ce69d26012c6a99aae2 [0,2,0,0,0,0|2,0,0]=4 4778 B9R0.13 O=C(O)[C@H](CS)NCCF 4c79677bbb685854a60d74446e9f57cc [0,2,0,0,0,0|2,0,0]=4 4779 B9R0.13 O=C(O)[C@H](CS)NCCO 0fb8ac4d248688818503cf49bb7e48e3 [0,2,0,0,0,0|2,0,0]=4 4780 B9R0.13 O=C(O)[C@H](CS)NCCS 4880754d17409338cf7658a9fdd61a29 [0,2,0,0,0,0|2,0,0]=4 4781 B9R0.42 C=C(CN(C)CC)C(=O)O ad8b230d9e37e71f54fd17d149f46463 [0,2,0,0,0,0|1,0,1]=4 4782 B9R0.42 CC(CO)NC(C)C(=O)O 1d595a98de4bcd09c95f2e6eaab4ebca [0,2,0,0,0,0|2,0,0]=4 4783 B9R0.42 CC(CO)NC(O)C(=O)O 918998900809a39405ab8709d56cf855 [0,2,0,0,0,0|2,0,0]=4 4784 B9R0.42 CC(CO)N[C@@H](C)C(=O)O 4dbd67747f4dcf229835960134b33163 [0,2,0,0,0,0|2,0,0]=4 4785 B9R0.42 CC(CO)N[C@H](C)C(=O)O b65e3f60883c33c0f95b5c867e27b54d [0,2,0,0,0,0|2,0,0]=4 4786 B9R0.42 CC(N[C@@H](C)CO)C(=O)O 1b6b9227ad3ecc5bcb8670c40fef950c [0,2,0,0,0,0|2,0,0]=4 4787 B9R0.42 CC(N[C@H](C)CO)C(=O)O 33afd43b849fefaac96a7f0d49ca40de [0,2,0,0,0,0|2,0,0]=4 4788 B9R0.42 CCC(C)NC(C)C(=O)C d2076d1ba3d94792c9c6038946ccef31 [0,2,0,0,0,0|2,0,0]=4 4789 B9R0.42 CCC(C)NC(C)C(=O)N 5e262aa87e5fddacf3e8ae8ee907f8ad [0,2,0,0,0,0|2,0,0]=4 4790 B9R0.42 CCC(C)NC(C)C(=O)O 68a75686848679943d96baf18ea4cee6 [0,2,0,0,0,0|1,0,0]=3 4791 B9R0.42 CCC(C)NC(O)C(=O)O 9226770c00565a8ac46c992bcd3694a8 [0,2,0,0,0,0|1,0,0]=3 4792 B9R0.42 CCC(C)N[C@@H](C)C(=O)N 26e676d5957beef045bf750f7dc9af88 [0,2,0,0,0,0|2,0,0]=4 4793 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 2ecfa90d128261ce7b1c7103e35d9ce8 [0,2,0,0,0,0|1,0,0]=3 4794 B9R0.42 CCC(C)N[C@H](C)C(=O)N 6327d00c5388e0fcf95216d4cf950bab [0,2,0,0,0,0|2,0,0]=4 4795 B9R0.42 CCC(C)N[C@H](C)C(=O)O 40879e478dcbab889582ba97d8fc0492 [0,2,0,0,0,0|1,0,0]=3 4796 B9R0.42 CCC(C)OC(C)C(=O)C 869490a476a05fd9f4215591c2108bcf [0,2,0,0,0,0|2,0,0]=4 4797 B9R0.42 CCC(C)OC(C)C(=O)N f226192dbf0a66abb9f871fe1d341893 [0,2,0,0,0,0|2,0,0]=4 4798 B9R0.42 CCC(C)OC(C)C(=O)O 124614e7fe674beb5798a733650d9db8 [0,2,0,0,0,0|1,0,0]=3 4799 B9R0.42 CCC(C)OC(F)C(=O)N ed5c76e27cca4aa2c4ae58b812b4f527 [0,2,0,0,0,0|2,0,0]=4 4800 B9R0.42 CCC(C)O[C@@H](C)C(=O)N aeb2ca070a05c8a81da9446ae5effba9 [0,2,0,0,0,0|2,0,0]=4 4801 B9R0.42 CCC(C)O[C@@H](C)C(=O)O 4cdb93fe73d7b9d6910c28e3abff04ff [0,2,0,0,0,0|1,0,0]=3 4802 B9R0.42 CCC(C)O[C@H](C)C(=O)N 35fbbd1ad2502da326d78c64590a9cbc [0,2,0,0,0,0|2,0,0]=4 4803 B9R0.42 CCC(C)O[C@H](C)C(=O)O 29e87848881bd076c640e1d0afced7c0 [0,2,0,0,0,0|1,0,0]=3 4804 B9R0.42 CCC(O)CN(C)C(=O)C b30c381c1280fa6a5b3ffe9c3abb0590 [0,2,0,0,0,0|2,0,0]=4 4805 B9R0.42 CCN(C)CC(=O)C(=O)O 69b21dc210a575cfa14653a614f06f44 [0,2,0,0,0,0|1,0,1]=4 4806 B9R0.42 CCN(C)CC(C)C(=O)O 723a209640bd6d7906fe24890b9f1ec8 [0,2,0,0,0,0|1,0,0]=3 4807 B9R0.42 CCN(C)C[C@H](O)C(=O)O d81aaee6aea514de5f389834648d53b5 [0,2,0,0,0,0|1,0,0]=3 4808 B9R0.42 CC[C@@H](C)NC(C)C(=O)C b24456cc36463141fbd5e75c825a37f1 [0,2,0,0,0,0|2,0,0]=4 4809 B9R0.42 CC[C@@H](C)NC(C)C(=O)N 61f40feb843d17ec8e9d5fffa99f7d2a [0,2,0,0,0,0|2,0,0]=4 4810 B9R0.42 CC[C@@H](C)NC(C)C(=O)O b10403595c42ff62f6fe5c7181982ab6 [0,2,0,0,0,0|1,0,0]=3 4811 B9R0.42 CC[C@@H](C)N[C@@H](C)C(=O)N b84359e8b3cc3d755501d51618e3e427 [0,2,0,0,0,0|2,0,0]=4 4812 B9R0.42 CC[C@@H](C)N[C@@H](C)C(=O)O 7da5357cd3fbd25609a74bf0c0d329bf [0,2,0,0,0,0|1,0,0]=3 4813 B9R0.42 CC[C@@H](C)N[C@H](C)C(=O)N e5a102ee7f6770c495b9179e1ce4eeb6 [0,2,0,0,0,0|2,0,0]=4 4814 B9R0.42 CC[C@@H](C)N[C@H](C)C(=O)O 11638d0e7a79520c4b085e7a2df35de8 [0,2,0,0,0,0|1,0,0]=3 4815 B9R0.42 CC[C@@H](C)OC(C)C(=O)C 295eb013673e453ac32386a805e93771 [0,2,0,0,0,0|2,0,0]=4 4816 B9R0.42 CC[C@@H](C)OC(C)C(=O)N 8c9d11854ed3049a67417e60abe453b0 [0,2,0,0,0,0|2,0,0]=4 4817 B9R0.42 CC[C@@H](C)OC(C)C(=O)O f33ef1abedccd793f28629c961ce3fe5 [0,2,0,0,0,0|1,0,0]=3 4818 B9R0.42 CC[C@@H](C)OC(F)C(=O)N ed11654590fe388c1e6741001c9d9a2e [0,2,0,0,0,0|2,0,0]=4 4819 B9R0.42 CC[C@@H](C)O[C@@H](C)C(=O)N 7cbff11083fc49f034dc579e36d766dc [0,2,0,0,0,0|2,0,0]=4 4820 B9R0.42 CC[C@@H](C)O[C@@H](C)C(=O)O e84999afa124bc3d9ca0c696f1b8d831 [0,2,0,0,0,0|1,0,0]=3 4821 B9R0.42 CC[C@@H](C)O[C@H](C)C(=O)N 33b1da53b2173ec28b224b6ae69997cb [0,2,0,0,0,0|2,0,0]=4 4822 B9R0.42 CC[C@@H](C)O[C@H](C)C(=O)O ea5ac1487807f841b2f36b90ff247b7d [0,2,0,0,0,0|1,0,0]=3 4823 B9R0.42 CC[C@H](C)NC(C)C(=O)C 7113b1598f00dc879293959ff877ca42 [0,2,0,0,0,0|2,0,0]=4 4824 B9R0.42 CC[C@H](C)NC(C)C(=O)N a48f1912950b61c964ec324d7cae3d4a [0,2,0,0,0,0|2,0,0]=4 4825 B9R0.42 CC[C@H](C)NC(C)C(=O)O 826392e01ce3eb4af77b0b39d0fe978a [0,2,0,0,0,0|1,0,0]=3 4826 B9R0.42 CC[C@H](C)N[C@@H](C)C(=O)N cf28d6b96a0252abc2d1d786c2d454c3 [0,2,0,0,0,0|2,0,0]=4 4827 B9R0.42 CC[C@H](C)N[C@@H](C)C(=O)O 7ef37b4a0a1e068d8a9f2b6ad87edcbb [0,2,0,0,0,0|1,0,0]=3 4828 B9R0.42 CC[C@H](C)N[C@H](C)C(=O)N e276fd8c31a07493d27c03948e2fe829 [0,2,0,0,0,0|2,0,0]=4 4829 B9R0.42 CC[C@H](C)N[C@H](C)C(=O)O 22d220b0a815a9ac8aea710ad5f73c11 [0,2,0,0,0,0|1,0,0]=3 4830 B9R0.42 CC[C@H](C)OC(C)C(=O)C 6af11b8669d1b3b219988957a2f45060 [0,2,0,0,0,0|2,0,0]=4 4831 B9R0.42 CC[C@H](C)OC(C)C(=O)N e5a9e311f834c6a6ab934aec4d86856d [0,2,0,0,0,0|2,0,0]=4 4832 B9R0.42 CC[C@H](C)OC(C)C(=O)O c4f6fe4fdd240638d0083650541f09fc [0,2,0,0,0,0|1,0,0]=3 4833 B9R0.42 CC[C@H](C)OC(F)C(=O)N 744d0bd42e08a9d9bee3fa69f4a01bfc [0,2,0,0,0,0|2,0,0]=4 4834 B9R0.42 CC[C@H](C)O[C@@H](C)C(=O)N e71f72e8da61c315e880361c47ef0d62 [0,2,0,0,0,0|2,0,0]=4 4835 B9R0.42 CC[C@H](C)O[C@@H](C)C(=O)O 8169e39c983146464221b38b3e9be7ca [0,2,0,0,0,0|1,0,0]=3 4836 B9R0.42 CC[C@H](C)O[C@H](C)C(=O)N 88c7111887df4dccdcda360cf543a9fc [0,2,0,0,0,0|2,0,0]=4 4837 B9R0.42 CC[C@H](C)O[C@H](C)C(=O)O ed9f7b940047fd9a74f5f18223d105e3 [0,2,0,0,0,0|1,0,0]=3 4838 B9R0.42 CN(CF)C[C@H](O)C(=O)O 60366e3171c2878a947ec480c44c1bd5 [0,2,0,0,0,0|2,0,0]=4 4839 B9R0.42 CN(CO)C[C@H](O)C(=O)O 9684eb013c9991979f1f883b59e5a0c5 [0,2,0,0,0,0|2,0,0]=4 4840 B9R0.42 C[C@@H](CO)NC(O)C(=O)O a6cb74e2b40c31da9f39edc27820ebf8 [0,2,0,0,0,0|2,0,0]=4 4841 B9R0.42 C[C@@H](CO)N[C@H](C)C(=O)O c1a428b0ddd139f9c2e2de1e99a8fc8a [0,2,0,0,0,0|2,0,0]=4 4842 B9R0.42 C[C@H](CO)NC(O)C(=O)O 7ec955a21dba01cf6aa8cf71eef23a2e [0,2,0,0,0,0|2,0,0]=4 4843 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O ac2b35d6c7874b85744c21c2fc268b36 [0,2,0,0,0,0|2,0,0]=4 4844 B9R0.42 C[C@H](CO)N[C@H](C)C(=O)O 484a418c83723ee82ece2afa09d603dc [0,2,0,0,0,0|2,0,0]=4 4845 B9R0.42 C[C@H](N[C@@H](C)CO)C(=O)O 1cea0a2a31427ddf84ea4f4f502411f2 [0,2,0,0,0,0|2,0,0]=4 4846 B9R0.51 CC(C)(CNCF)C(=O)O 945cfb6b876ecbe7f0204fb47d7a019c [0,2,0,0,0,0|2,0,0]=4 4847 B9R0.51 CC(C)(CNCO)C(=O)O 23a22f3a4fdb7445b279c8f09970c772 [0,2,0,0,0,0|2,0,0]=4 4848 B9R0.51 CC(C)(COCF)C(=O)O 4ea2ee56aa8053e1eea8713bafcaccdf [0,2,0,0,0,0|2,0,0]=4 4849 B9R0.51 CC(C)(NCCF)C(=O)O 5c50cb971d4e2bb9647e168e4fc6a354 [0,2,0,0,0,0|2,0,0]=4 4850 B9R0.51 CC(C)(NCCO)C(=O)O f3b691beaf25e72cca4f57215514408f [0,2,0,0,0,0|2,0,0]=4 4851 B9R0.51 CC(C)(NCCS)C(=O)O ded5741ca79332559e2bcaeec9e84ee6 [0,2,0,0,0,0|2,0,0]=4 4852 B9R0.51 CCCNC(C)(C)C(=O)C ca7c001ce0bc04dc4136178f7edd7d1e [0,2,0,0,0,0|2,0,0]=4 4853 B9R0.51 CCCNC(C)(C)C(=O)N 92d8a2ba5e822c4f60fc3bb4087ae5a0 [0,2,0,0,0,0|2,0,0]=4 4854 B9R0.51 CCCNC(C)(C)C(=O)O 5af6ccb529bc268255165812ab7324f1 [0,2,0,0,0,0|1,0,0]=3 4855 B9R0.51 CCNCC(C)(C)C(=O)N df80fbe6a53b5aaa78a6afcfb3babb31 [0,2,0,0,0,0|2,0,0]=4 4856 B9R0.51 CCNCC(C)(C)C(=O)O ec9fd4af8b3d116e68bab4c15c62de3c [0,2,0,0,0,0|1,0,0]=3 4857 B9R0.51 CCNCC(F)(F)C(=O)O 64da67e8dea468f2a939a1316cacc786 [0,2,0,0,0,0|1,0,0]=3 4858 B9R0.51 CCOCC(C)(C)C(=O)C 70acf1879bfb83aa559f63dfe75c2ba1 [0,2,0,0,0,0|2,0,0]=4 4859 B9R0.51 CCOCC(C)(C)C(=O)N e19b048bf7aecb3bebfe5fa5a6e8459e [0,2,0,0,0,0|2,0,0]=4 4860 B9R0.51 CCOCC(C)(C)C(=O)O 582231cebb5c80114745be067d5573aa [0,2,0,0,0,0|1,0,0]=3 4861 B9R0.51 COCNC(C)(C)C(=O)O bffdcd9b4e3f205ec7e6c81839334980 [0,2,0,0,0,0|2,0,0]=4 4862 B9R0.51 CSCNC(C)(C)C(=O)O 7f6c76c68e77ead055e537b3ec9fcb93 [0,2,0,0,0,0|2,0,0]=4 4863 B9R0.51 O=C(O)C(F)(F)CNCF a9dee19cc38c154bae0723818363cfeb [0,2,0,0,0,0|2,0,0]=4 4864 B9R0.51 O=C(O)C(F)(F)CNCO 09f2d497fe1e3b927ca774868cc95ad4 [0,2,0,0,0,0|2,0,0]=4 4865 B9R0.21 CCC(C)NCS(=O)(=O)O 3843f5387ccbb99cb2ec3de58423578c [0,2,0,0,0,0|2,0,0]=4 4866 B9R0.21 CCN(C)CCS(=O)(=O)O b45c23bee2273f4ed0f973d66db875e9 [0,2,0,0,0,0|2,0,0]=4 4867 B9R0.21 CC[C@@H](C)NCS(=O)(=O)O 3381b6ca29c85622de98a7a50aed3ceb [0,2,0,0,0,0|2,0,0]=4 4868 B9R0.21 CC[C@H](C)NCS(=O)(=O)O c7549dfb5a5ac8f636d10dd80863d40f [0,2,0,0,0,0|2,0,0]=4 4869 B9R0.43 C#CC(CC)OCC(=O)N 016ce731fbd25e3c07aeaafc7a1106ab [0,2,0,0,0,0|2,0,0]=4 4870 B9R0.43 C#CC(CC)OCC(=O)O 730b1e7fc7eb3300fdc71985647106f9 [0,2,0,0,0,0|1,0,0]=3 4871 B9R0.43 C=CC(CC)OCC(=O)N 20a0e0364714fe8ac3370fe7047b3a8e [0,2,0,0,0,0|2,0,0]=4 4872 B9R0.43 C=CC(CC)OCC(=O)O b88f2e10a8550602707dec2f9eae7fb5 [0,2,0,0,0,0|1,0,0]=3 4873 B9R0.43 C=C[C@@H](CO)NCC(=O)O 8d053a06a2e2c444b01bd69fddfe73ff [0,2,0,0,0,0|2,0,0]=4 4874 B9R0.43 CCC(C#N)OCC(=O)N 288eae6acf3aae85507d59dc1ea5be7a [0,2,0,0,0,0|2,0,0]=4 4875 B9R0.43 CCC(C#N)OCC(=O)O 9d4d7ebe4dc8dfaff9ab156c1788d83d [0,2,0,0,0,0|1,0,0]=3 4876 B9R0.43 CCC(C=O)NCC(=O)C e722b983dfd65925ee993463768d3a21 [0,2,0,0,0,0|2,0,0]=4 4877 B9R0.43 CCC(C=O)NCC(=O)N 26afc9988a3306c5f291107cd41975aa [0,2,0,0,0,0|2,0,0]=4 4878 B9R0.43 CCC(C=O)NCC(=O)O 2dff37ffe0c09807fcd641801f47306a [0,2,0,0,0,0|1,0,0]=3 4879 B9R0.43 CCC(C=O)OCC(=O)C 204385582c9e72ba1ef04200142d0135 [0,2,0,0,0,0|2,0,0]=4 4880 B9R0.43 CCC(C=O)OCC(=O)N 7514a50ff723b770f07c34bd72db76ff [0,2,0,0,0,0|2,0,0]=4 4881 B9R0.43 CCC(C=O)OCC(=O)O 200ce9180f5aea00044ac6edcf54d531 [0,2,0,0,0,0|1,0,0]=3 4882 B9R0.43 CCC(C=O)OCS(=O)O d09dc149e383a54e207ae1f48baec9b4 [0,2,0,0,0,0|2,0,0]=4 4883 B9R0.43 CCC(CC)CNC(=O)C 1549f79204b015c6741805722d63f02b [0,2,0,0,0,0|2,0,0]=4 4884 B9R0.43 CCC(CC)NCC(=O)C 70a7a34fd5b9f13420599575ca59b309 [0,2,0,0,0,0|2,0,0]=4 4885 B9R0.43 CCC(CC)NCC(=O)N ba1ba5684139cdae5f828e99c03588fa [0,2,0,0,0,0|2,0,0]=4 4886 B9R0.43 CCC(CC)NCC(=O)O 995cd6a8146da731115d097551736d02 [0,2,0,0,0,0|1,0,0]=3 4887 B9R0.43 CCC(CC)OCC(=O)C e585e39db31cc4648e1fa74bf026183f [0,2,0,0,0,0|2,0,0]=4 4888 B9R0.43 CCC(CC)OCC(=O)N 1159d3ee802ce0ed1d8ecfa7ae9f3a38 [0,2,0,0,0,0|2,0,0]=4 4889 B9R0.43 CCC(CC)OCC(=O)O 1b3befb0c3d9e3800b8f83ed1ff32f58 [0,2,0,0,0,0|1,0,0]=3 4890 B9R0.43 CCC(CC)OCS(=O)O 9088dc5b9dfa1c1f32aa7ffed72cecc6 [0,2,0,0,0,0|2,0,0]=4 4891 B9R0.43 CCC(CO)CNC(=O)C f06f2cec7d1e6e4c1c3bbf6f6411b3ed [0,2,0,0,0,0|2,0,0]=4 4892 B9R0.43 CCC(CO)NCC(=O)C d3ea90a78330a2ba0c8b0126dca355b9 [0,2,0,0,0,0|2,0,0]=4 4893 B9R0.43 CCC(CO)NCC(=O)N 7e633424dbaaf57014c9bf99d0265d36 [0,2,0,0,0,0|2,0,0]=4 4894 B9R0.43 CCC(CO)NCC(=O)O 586189b2332a32af4757091d48666a8a [0,2,0,0,0,0|1,0,0]=3 4895 B9R0.43 CCN(C=O)CCC(=O)N 0c5cb963f8fe5e8484cce1a652b0eb0b [0,2,0,0,0,0|2,0,0]=4 4896 B9R0.43 CCN(CC)CCC(=O)N a8bdb500d800dfb76989944bf928047c [0,2,0,0,0,0|2,0,0]=4 4897 B9R0.43 CCN(CO)CCC(=O)N 922f26fe6b08d865c262df93248b88c0 [0,2,0,0,0,0|2,0,0]=4 4898 B9R0.43 CC[C@@H](CO)NCC(=O)N e22143a7c0573e78dadb07451102ce8b [0,2,0,0,0,0|2,0,0]=4 4899 B9R0.43 CC[C@@H](CO)NCC(=O)O ca5de122a401b27aebff33f963871c41 [0,2,0,0,0,0|1,0,0]=3 4900 B9R0.43 CC[C@H](CO)NCC(=O)N d10a2cce3c58bda571f1f8fb2e113e41 [0,2,0,0,0,0|2,0,0]=4 4901 B9R0.43 CC[C@H](CO)NCC(=O)O e8d663c48b3ee956fc556faee09136e0 [0,2,0,0,0,0|1,0,0]=3 4902 B9R0.43 O=C(O)CNC(CO)CO a2139af8eda74af59c3bc12727e73261 [0,2,0,0,0,0|2,0,0]=4 4903 B9R0.43 O=C(O)COC(CBr)CBr 968739f959b8050ba02b555082945239 [0,2,0,0,0,0|2,0,0]=4 4904 B9R0.43 O=C(O)COC(CCl)CBr 9033349e9d1caf3bf05451da377590dd [0,2,0,0,0,0|2,0,0]=4 4905 B9R0.43 O=C(O)COC(CCl)CCl 07b67d873a27eefc5209e32d4442733d [0,2,0,0,0,0|2,0,0]=4 4906 B9R0.43 O=C(O)COC(CF)CF 645fb4e5970d1448f8310a40d8900d10 [0,2,0,0,0,0|2,0,0]=4 4907 B9R0.43 O=C(O)COC(CO)CO 97a0c2721b7a536eedc3657cdcee9b13 [0,2,0,0,0,0|2,0,0]=4 4908 B9R0.43 O=C(O)CO[C@@H](CCl)CI 8724643fcfb76af31b10332219dbb5af [0,2,0,0,0,0|2,0,0]=4 4909 B9R0.43 O=C(O)CO[C@H](CCl)CI a55b93887e2d1bb2223800dc9912c456 [0,2,0,0,0,0|2,0,0]=4 4910 B9R0.64 CC(C)(CF)NCC(=O)O 1a4e72b512223df8d349776ccef40e80 [0,2,0,0,0,0|2,0,0]=4 4911 B9R0.64 CC(C)(CO)NCC(=O)O 67fe174ec0e1fc280c3085d51bb29881 [0,2,0,0,0,0|2,0,0]=4 4912 B9R0.64 CCC(C)(C)CNC(=O)C a5d06d07f2be7328cab309362822b65c [0,2,0,0,0,0|2,0,0]=4 4913 B9R0.64 CCC(C)(C)NCC(=O)N 28106e2989c09b9e47bc1095eab84054 [0,2,0,0,0,0|2,0,0]=4 4914 B9R0.64 CCC(C)(O)CNC(=O)C 5cdbea673ddb6eaec5c42e286f6da6ff [0,2,0,0,0,0|2,0,0]=4 4915 B9R0.56 CC(=O)CCNC(C)(C)C b023779b0c0e2fe6baca0495d01629b4 [0,2,0,0,0,0|2,0,0]=4 4916 B9R0.56 CC(=O)CNCC(C)(C)C 5a51c105adf08d92886d7a3ab7ae9e9d [0,2,0,0,0,0|2,0,0]=4 4917 B9R0.56 CC(=O)CNCC(C)(C)F 74895cd62fe2c6ac74fb3ee8a698e2eb [0,2,0,0,0,0|2,0,0]=4 4918 B9R0.56 CC(=O)CNCC(C)(C)O 4768c2ef33c494cf1cb460ccf8992d46 [0,2,0,0,0,0|2,0,0]=4 4919 B9R0.56 CC(=O)CNCC(C)(F)F c38eb95aebf2633d2a4073a9044638ea [0,2,0,0,0,0|2,0,0]=4 4920 B9R0.56 CC(=O)COCC(C)(C)C f73e33947450f6ad37f584c3c3998373 [0,2,0,0,0,0|2,0,0]=4 4921 B9R0.56 CC(=O)COCC(C)(C)F 040adf90b02e2e8f95db01e20e6b7a90 [0,2,0,0,0,0|2,0,0]=4 4922 B9R0.56 CC(=O)COCC(C)(C)O 968af8323febdab174c481fb970167e4 [0,2,0,0,0,0|2,0,0]=4 4923 B9R0.56 CC(=O)COCC(C)(F)F e5ee2abb87398e5dda9c35d1fb1493ca [0,2,0,0,0,0|2,0,0]=4 4924 B9R0.56 CC(=O)NCCC(C)(C)C f95154014d81ef922c5c8e15b85f55af [0,2,0,0,0,0|2,0,0]=4 4925 B9R0.56 CC(=O)NCCC(C)(C)F 3cd44a4c80393044cdba6a12ba4f030d [0,2,0,0,0,0|2,0,0]=4 4926 B9R0.56 CC(=O)NCCC(C)(C)O 09bac841bd2153dd8b07a31d7318af00 [0,2,0,0,0,0|2,0,0]=4 4927 B9R0.56 CC(C)(Br)COCC(=O)N 5348d2be9281a0f988bfdfbba4d4aa26 [0,2,0,0,0,0|2,0,0]=4 4928 B9R0.56 CC(C)(Br)COCC(=O)O f4b3dda029b687e1e93d6714516341ca [0,2,0,0,0,0|1,0,0]=3 4929 B9R0.56 CC(C)(C)CNCC(=O)N 098c086062306af5622b8bef8d2a934d [0,2,0,0,0,0|2,0,0]=4 4930 B9R0.56 CC(C)(C)CNCC(=O)O 48484e77a3391febaff23cc27f83c632 [0,2,0,0,0,0|1,0,0]=3 4931 B9R0.56 CC(C)(C)COCC(=O)N b3b2f81558cd6e8388aa89e3b9597332 [0,2,0,0,0,0|2,0,0]=4 4932 B9R0.56 CC(C)(C)COCC(=O)O 6343d13d7538778e6be0ee5b157d3306 [0,2,0,0,0,0|1,0,0]=3 4933 B9R0.56 CC(C)(C)COCS(=O)O e6e801662b85e9f4b1299429449bc842 [0,2,0,0,0,0|2,0,0]=4 4934 B9R0.56 CC(C)(C)NCCC(=O)N 4711e739984f689495f99e53ee16b2a3 [0,2,0,0,0,0|2,0,0]=4 4935 B9R0.56 CC(C)(C)NCCC(=O)O 843cfa476336bc74d5fb0cc3c9d1d480 [0,2,0,0,0,0|1,0,0]=3 4936 B9R0.56 CC(C)(F)CNCC(=O)N 6e629b0b5a2c8a35aea14ff5dfaa40f5 [0,2,0,0,0,0|2,0,0]=4 4937 B9R0.56 CC(C)(F)CNCC(=O)O f0045d40b935ce4307fdd8a98e27d771 [0,2,0,0,0,0|1,0,0]=3 4938 B9R0.56 CC(C)(F)COCC(=O)N 489a7ee974a85bdc36c13e25eba4857a [0,2,0,0,0,0|2,0,0]=4 4939 B9R0.56 CC(C)(F)COCC(=O)O f930e32e97984ceb6661cffc664ed43d [0,2,0,0,0,0|1,0,0]=3 4940 B9R0.56 CC(C)(F)COCS(=O)O 8ed63790e0694055307bb8388551ddb9 [0,2,0,0,0,0|2,0,0]=4 4941 B9R0.56 CC(C)(O)CNCC(=O)N 2b661a1a86ce841cc226cde8ab51dbe1 [0,2,0,0,0,0|2,0,0]=4 4942 B9R0.56 CC(C)(O)CNCC(=O)O e151ab0ab3d97e396aa0fed6e804877e [0,2,0,0,0,0|1,0,0]=3 4943 B9R0.56 CC(C)(O)COCC(=O)N b9eb6d8c3a5311b746406f5ec85331b7 [0,2,0,0,0,0|2,0,0]=4 4944 B9R0.56 CC(C)(O)COCC(=O)O 98a41e9da098f05b7aac50d16fcdacd9 [0,2,0,0,0,0|1,0,0]=3 4945 B9R0.56 CC(C)(O)COCS(=O)O e627cfe34a99e7b40e1163e67cbd5f32 [0,2,0,0,0,0|2,0,0]=4 4946 B9R0.56 CC(C)(S)COCC(=O)N 342f6ca6a04537ac3e25ba3cc0639357 [0,2,0,0,0,0|2,0,0]=4 4947 B9R0.56 CC(C)(S)COCC(=O)O 179792a8f36e7a74693997e52ca1a93c [0,2,0,0,0,0|1,0,0]=3 4948 B9R0.56 CC(C)CNCS(=O)(=O)O 06ea36422d40a04e8d17bec6a0d1b739 [0,2,0,0,0,0|2,0,0]=4 4949 B9R0.56 CC(C)NCCS(=O)(=O)O 90a72a74a58be8e35c81b005d922329f [0,2,0,0,0,0|2,0,0]=4 4950 B9R0.56 CC(C)OCCS(=O)(=O)O cab02f1ba5f064bd08e4e21b62c5e9c1 [0,2,0,0,0,0|2,0,0]=4 4951 B9R0.56 CC(F)(F)CNCC(=O)N 0d2574b362f9ee1db50e69886cbf07ef [0,2,0,0,0,0|2,0,0]=4 4952 B9R0.56 CC(F)(F)CNCC(=O)O 8858e699e4dfb7eb008c121635e7625c [0,2,0,0,0,0|1,0,0]=3 4953 B9R0.56 CC(F)(F)COCC(=O)N 9140cbf8a7d36b14103966db7cb1abbb [0,2,0,0,0,0|2,0,0]=4 4954 B9R0.56 CC(F)(F)COCC(=O)O f6411d8693ef059468f662190c6a7f1f [0,2,0,0,0,0|1,0,0]=3 4955 B9R0.56 CC(F)(F)COCS(=O)O d3f890b1106137893888e3dc1fff427a [0,2,0,0,0,0|2,0,0]=4 4956 B9R0.56 CC(O)CNCS(=O)(=O)O 9833777068faff11c608681308128014 [0,2,0,0,0,0|2,0,0]=4 4957 B9R0.56 CS(=O)(=O)CNCC(=O)O b3d4b916729f0f05a36cb4efab798f74 [0,2,0,0,0,0|2,0,0]=4 4958 B9R0.56 CS(=O)(=O)COCC(=O)O dca250325b5ffe688b8783789ecabd22 [0,2,0,0,0,0|2,0,0]=4 4959 B9R0.56 C[C@@H](O)CNCS(=O)(=O)O 4a36463c0e4c45f5f46823404a9c28bb [0,2,0,0,0,0|2,0,0]=4 4960 B9R0.56 C[C@H](O)CNCS(=O)(=O)O cf0b5af3b68f8b8d396de06968b21638 [0,2,0,0,0,0|2,0,0]=4 4961 B9R0.56 O=C(O)CNCC(F)(F)F f49d7b03a0f337b183fb20a91dd514bf [0,2,0,0,0,0|2,0,0]=4 4962 B9R0.56 O=C(O)COCC(F)(F)Br b0dfaf5fa4627e81c93419bed40d3b30 [0,2,0,0,0,0|2,0,0]=4 4963 B9R0.56 O=C(O)COCC(F)(F)Cl 0ad4c181cef16ca7454fc1b890e53d24 [0,2,0,0,0,0|2,0,0]=4 4964 B9R0.56 O=C(O)COCC(F)(F)F d75a294077f2fa36d16e84aaa84f1a5d [0,2,0,0,0,0|2,0,0]=4 4965 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [1,0,0,1,0,0|2,0,0]=4 4966 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [1,0,0,1,0,0|2,0,0]=4 4967 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [1,0,0,1,0,0|2,0,0]=4 4968 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [1,0,0,1,0,0|2,0,0]=4 4969 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [1,0,0,1,0,0|1,0,0]=3 4970 B7R1.6 O=CNC1COC1 910edb395eecbce8af210d974d8d054c [1,0,0,1,0,0|2,0,0]=4 4971 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [1,0,0,1,0,0|1,0,1]=4 4972 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [1,0,0,1,0,0|1,0,1]=4 4973 B9R1.7 CCCN1CCC(C1)O eeee4c9ff31547429984de7fec1530e5 [0,1,0,1,0,0|1,0,1]=4 4974 B9R1.7 CCCN1CC[C@@H](C1)O addf13435b3a181b9ab32dc2532a69e7 [0,1,0,1,0,0|1,0,1]=4 4975 B9R1.7 CCCN1CC[C@H](C1)O cd6ac3bcff83f25d1af2efddd1475aec [0,1,0,1,0,0|1,0,1]=4 4976 B9R1.7 CCCN1CNC(=O)C1 3c5d5a0187668e5f708d17c495c62e95 [0,1,0,1,0,0|2,0,0]=4 4977 B9R1.7 CCNC1CCC(C1)O 628356fc89e19ef9e05dade55232a5bb [0,1,0,1,0,0|1,0,1]=4 4978 B9R1.7 CCNC1CNC(=O)C1 f034b1c0e5aa31eff338453bd1cde7f9 [0,1,0,1,0,0|2,0,0]=4 4979 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O 7c8c53e111793be80ad4cc673241d07f [0,1,0,1,0,0|1,0,1]=4 4980 B9R1.7 CCN[C@@H]1CC[C@H](C1)O ff712e2d7c8949b18071ff107f2beb24 [0,1,0,1,0,0|1,0,1]=4 4981 B9R1.7 CCN[C@@H]1CNC(=O)C1 53d087e66deab9a5a56ba2147c98eebb [0,1,0,1,0,0|2,0,0]=4 4982 B9R1.7 CCN[C@H]1CC[C@@H](C1)O 2a978cf4fc6aa50fa68ee6171c076414 [0,1,0,1,0,0|1,0,1]=4 4983 B9R1.7 CCN[C@H]1CC[C@H](C1)O 32fb3339fe7260cc6eb8ef4293a46d46 [0,1,0,1,0,0|1,0,1]=4 4984 B9R1.7 CCN[C@H]1CNC(=O)C1 a0f226362b35f34e32c6ff7f460edeb1 [0,1,0,1,0,0|2,0,0]=4 4985 B9R1.7 CCOC1=CC(=O)CC1 48a7469ac82c40a0eca1f40d8071b6ec [0,1,0,1,0,0|1,0,1]=4 4986 B9R1.7 CCOC1=COC(=O)C1 d9f8c57e71131e87788948985bfcb55f [0,1,0,1,0,0|1,0,1]=4 4987 B9R1.7 CCOC1C=CC(=O)C1 cf7dcc6d5bb52c2dbe964e53d7a14001 [0,1,0,1,0,0|2,0,0]=4 4988 B9R1.7 CCOC1C=CC(=O)O1 29891b23a7e06859f351008a27b82b00 [0,1,0,1,0,0|0,0,2]=4 4989 B9R1.7 CCOC1CCC(=O)C1 20f868b46959ea3477a4c5711e7faca7 [0,1,0,1,0,0|1,0,0]=3 4990 B9R1.7 CCOC1CNC(=O)C1 5dfdd0a06ecc1692efd79633b6c9fdb4 [0,1,0,1,0,0|2,0,0]=4 4991 B9R1.7 CCOC1COC(=O)C1 a14609c36cb4911f4d4f0326be24482c [0,1,0,1,0,0|1,0,0]=3 4992 B9R1.7 CCO[C@@H]1CNC(=O)C1 a15700fb6c9d37d8c11af797ede2320b [0,1,0,1,0,0|2,0,0]=4 4993 B9R1.7 CCO[C@@H]1COC(=O)C1 f08fd85a64aaf6d51d762bf437e965d8 [0,1,0,1,0,0|1,0,0]=3 4994 B9R1.7 CCO[C@H]1C=CC(=O)C1 b0e331b85aadab1f09429088fdf1cc58 [0,1,0,1,0,0|2,0,0]=4 4995 B9R1.7 CCO[C@H]1CNC(=O)C1 442cd5fabba5f8376815e4dbe7155a78 [0,1,0,1,0,0|2,0,0]=4 4996 B9R1.7 CCO[C@H]1COC(=O)C1 b5b6c1c9b0e94e583c1e7d2706c4af7c [0,1,0,1,0,0|1,0,0]=3 4997 B9R1.7 O=C1CC(CO1)OCF 6ccdee68b23c369d52f71b4fd0fa7d68 [0,1,0,1,0,0|2,0,0]=4 4998 B9R1.7 O=C1CCC(C1)OCF 98c190e459e55f64b9e25e39bcd16a19 [0,1,0,1,0,0|2,0,0]=4 4999 B9R1.7 O=C1C[C@@H](CO1)OCF 51d79eb5dd5903751f5c379bd3b2cb3a [0,1,0,1,0,0|2,0,0]=4 5000 B9R1.7 O=C1C[C@H](CO1)OCF f528bbda1523620d35f6549c89ffa164 [0,1,0,1,0,0|2,0,0]=4 5001 B9R1.13 CC(=O)NC1CCCC1 a2d6bc9cfdeb39e26a278a42ee1d6324 [0,1,0,1,0,0|1,0,0]=3 5002 B9R1.13 CC(=O)NC1CCOC1 c5177dfe9e6c084a2da585e140eb24a0 [0,1,0,1,0,0|2,0,0]=4 5003 B9R1.13 CC(=O)NC1CCSC1 730ac5b1a87c9b477c5040aed194c284 [0,1,0,1,0,0|2,0,0]=4 5004 B9R1.13 CC(=O)N[C@@H]1CCOC1 a0946b6158cd267ecce33909819f831a [0,1,0,1,0,0|2,0,0]=4 5005 B9R1.13 CC(=O)N[C@H]1CCOC1 1f47913b87a63d932081a27afac44166 [0,1,0,1,0,0|2,0,0]=4 5006 B9R1.13 NC(=O)CN1CCSC1 22be898db8492311f4a4cae51daf2cd1 [0,1,0,1,0,0|2,0,0]=4 5007 B9R1.13 O=C(O)CN1CC=CC1 95a23d44a7c175c2727202d3f21e547e [0,1,0,1,0,0|0,0,2]=4 5008 B9R1.13 O=C(O)CN1CCSC1 3cee187b91b84407a74d8a64ddd2529a [0,1,0,1,0,0|1,0,0]=3 5009 B9R1.41 CC(=O)N1CCCC1C f3ed72e102a18b3ca7365fff10aeb6f8 [0,1,0,1,0,0|1,0,0]=3 5010 B9R1.41 CC(=O)N1CCCC1O b5790fb44bfcbecb21ad5fbf05ca9a35 [0,1,0,1,0,0|2,0,0]=4 5011 B9R1.41 CC(=O)N1CCC[C@@H]1C 45c9778b44581f9933633398df3c02d2 [0,1,0,1,0,0|1,0,0]=3 5012 B9R1.41 CC(=O)N1CCC[C@H]1C 77e41bde24aa3c51a340cfebe6f455b1 [0,1,0,1,0,0|1,0,0]=3 5013 B9R1.41 CC(=O)N1CCSC1C 13a90b79e1eaed8ff645ef446550c0e3 [0,1,0,1,0,0|2,0,0]=4 5014 B9R1.52 CC(=O)N1C(CC1C)C d825f591833d5e0a442032eae5313b9d [0,1,0,1,0,0|2,0,0]=4 5015 B9R1.52 CC(=O)N1[C@@H](C[C@@H]1C)C 4e2229f8146ce5646a498c302183cf52 [0,1,0,1,0,0|2,0,0]=4 5016 B9R1.52 CC(=O)N1[C@@H](C[C@H]1C)C cade317e458702f2614a7905862507f2 [0,1,0,1,0,0|2,0,0]=4 5017 B9R1.52 CC(=O)N1[C@H](C[C@@H]1C)C 3b50e267751b2a24aac73ac831cd48fb [0,1,0,1,0,0|2,0,0]=4 5018 B9R1.53 CC(=O)NC1CC(C1)F 7223308b19c70b0e1bd9898cb652418c [0,1,0,1,0,0|2,0,0]=4 5019 B9R1.53 CC(=O)NC1CC(C1)O 8799f4af3e0b6d09fbf8b9528ac7ebaa [0,1,0,1,0,0|2,0,0]=4 5020 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)F 181d91871be7f8e4efc6814a1c683243 [0,1,0,1,0,0|2,0,0]=4 5021 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 8a924b3dc097e65a33d640e85c34f83f [0,1,0,1,0,0|2,0,0]=4 5022 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)F 44691e28cb286cfd51c0cab56e7261eb [0,1,0,1,0,0|2,0,0]=4 5023 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)O fe9ddac170e9c08eaecbd11e2341ace8 [0,1,0,1,0,0|2,0,0]=4 5024 B9R1.53 CC(C)OC1CC(=O)C1 8ef8acfdd76ea16ede89418ba392179a [0,1,0,1,0,0|2,0,0]=4 5025 B9R1.53 NC(=O)CN1CC(C1)F 6f836876a332541e77d5af137d781077 [0,1,0,1,0,0|2,0,0]=4 5026 B9R1.53 NC(=O)CN1CC(C1)O 9049222e220fbd240264d7a67ff8edda [0,1,0,1,0,0|2,0,0]=4 5027 B9R1.53 O=C(O)CN1CC(C1)F bc7076e56d5dac9076928f37c7df6ae5 [0,1,0,1,0,0|1,0,0]=3 5028 B9R1.53 O=C(O)CN1CC(C1)O cd9cc5381132e3ab65c96da44eace8e8 [0,1,0,1,0,0|1,0,0]=3 5029 B9R1.59 N#CN[C@@H]1C[C@@H]1C(=O)O bc2cd394bc7f93c74e2e1f6226e999ad [0,1,0,1,0,0|1,0,1]=4 5030 B9R1.59 N#CN[C@H]1C[C@@H]1C(=O)O f659af02d3cbd2b97292473e1750f0f5 [0,1,0,1,0,0|1,0,1]=4 5031 B9R1.59 N#CN[C@H]1C[C@H]1C(=O)O b69df576ddf391e31209501cb99206b3 [0,1,0,1,0,0|1,0,1]=4 5032 B9R1.86 CC(=O)N[C@@H]1C[C@H]1CO 0ac341c281dc9252b106f5d7b9e0551f [0,1,0,1,0,0|2,0,0]=4 5033 B9R1.86 CC(=O)N[C@H]1C[C@@H]1CO 228632cfd2f8d7f21118d84b7904f197 [0,1,0,1,0,0|2,0,0]=4 5034 B9R1.86 CC(=O)N[C@H]1C[C@H]1CO 38116f4ae17d91e0551dbf756c4676ef [0,1,0,1,0,0|2,0,0]=4 5035 B9R1.86 CO[C@H]1C[C@H]1NC(=O)C b71e84ef949a92b8a12e539c63f6f21c [0,1,0,1,0,0|2,0,0]=4 5036 B9R1.137 CC(=O)N[C@@H](C)C1CC1 cb52c7f3ebe5aa8b915eead0d67bbb30 [0,1,0,1,0,0|2,0,0]=4 5037 B9R1.137 CC(=O)N[C@H](C)C1CC1 691d9804742e6e549d488040ae1ee5cb [0,1,0,1,0,0|2,0,0]=4 5038 B9R1.137 CN(CC(=O)N)C1CC1 e353d6cb022b6e315f0557db77d4879c [0,1,0,1,0,0|2,0,0]=4 5039 B9R1.137 CN(CC(=O)O)C1CC1 e912d9f2a96d438402b8e9e74437ecb9 [0,1,0,1,0,0|1,0,0]=3 5040 B9R1.2 CC1CCCN(C1)C=O 5a06aa6b42e18f18aee9823269dae409 [0,1,0,1,0,0|2,0,0]=4 5041 B9R1.2 CC1CCCN(C1)CO 26652d230bcc9a1195d63435a97c512d [0,1,0,1,0,0|2,0,0]=4 5042 B9R1.2 CCN1CCCC(=O)C1 b0afeee675d5ec52ec51d9d2cdcf36a5 [0,1,0,1,0,0|1,0,0]=3 5043 B9R1.2 CCN1CCCC(C1)O 01dd02e5bf6117a7fa48ae871f4642c4 [0,1,0,1,0,0|1,0,1]=4 5044 B9R1.2 CCN1CCC[C@@H](C1)O d6e6558187b53da928a88c93a11d40fa [0,1,0,1,0,0|1,0,1]=4 5045 B9R1.2 CCN1CCC[C@H](C1)O 9fb116abf81f3b2aa3dfe9efc1670b96 [0,1,0,1,0,0|1,0,1]=4 5046 B9R1.2 CCN1CCNC(=O)C1 8ee087b200f253c3cbe099e9fc72a94a [0,1,0,1,0,0|2,0,0]=4 5047 B9R1.2 CCN1CCOC(=O)C1 3f4941c9ffb61ce7dcae55397d747220 [0,1,0,1,0,0|2,0,0]=4 5048 B9R1.2 C[C@@H]1CCCN(C1)C=O b5e680c9235a8f69b3718f41b577e428 [0,1,0,1,0,0|2,0,0]=4 5049 B9R1.2 C[C@@H]1CCCN(C1)CO 6675ecf83c8b49544e3561e3282b0e83 [0,1,0,1,0,0|2,0,0]=4 5050 B9R1.2 C[C@H]1CCCN(C1)C=O 4dab749a75683c45748ebdcac3ae2c8b [0,1,0,1,0,0|2,0,0]=4 5051 B9R1.2 C[C@H]1CCCN(C1)CO 612f7806a77df61f3b60bf95e73ba9e6 [0,1,0,1,0,0|2,0,0]=4 5052 B9R1.2 O=C1CCCN(C1)CF 4a3aadad28924fa951595c84af73b014 [0,1,0,1,0,0|2,0,0]=4 5053 B9R1.2 O=C1CCCN(C1)CO 6d0678682a57a081022f992f70f98004 [0,1,0,1,0,0|2,0,0]=4 5054 B9R1.11 CN(CO)C1CCCC1 0b5d16fc59af1f86a07861d7fe6de384 [0,1,0,1,0,0|2,0,0]=4 5055 B9R1.11 O=C(CO)N1CCSC1 42095cf2ba0d7bb360a067bfcbd5ee52 [0,1,0,1,0,0|2,0,0]=4 5056 B9R1.16 C=C1CC1COCCC dbf7f65a57254b2e5c70dceecfec1a08 [0,1,0,1,0,0|2,0,0]=4 5057 B9R1.21 CCC1CCN(C1)C=O 511eb19254d8c6b5ffcb350a73123905 [0,1,0,1,0,0|2,0,0]=4 5058 B9R1.21 CCC1CCN(C1)CO d6731118e4ffc5593845df2f4ad3ee35 [0,1,0,1,0,0|2,0,0]=4 5059 B9R1.39 CCCN[C@H]1CNC1=O d54fb2abe7455950df3e037f3ce21945 [0,1,0,1,0,0|2,0,0]=4 5060 B9R1.39 CCCOC1CCC1=O 6747d0d4bf3ca4d2474fd2057207f365 [0,1,0,1,0,0|2,0,0]=4 5061 B9R1.39 CCOCC1CCC1=O a06c32f97be82794ffc1ab53b750de7f [0,1,0,1,0,0|2,0,0]=4 5062 B9R1.58 CCCC1CN(C1)C=O 867bf4f5c760470bb9b1b8cee8c6b82b [0,1,0,1,0,0|2,0,0]=4 5063 B9R1.58 CCCC1CN(C1)CO 4aa6189420cc0f78fcf0a688394057ed [0,1,0,1,0,0|2,0,0]=4 5064 B9R1.78 C#CC(=O)NC1CC1C f156b18c8b0c4b6c6ec31aca30c164be [0,1,0,1,0,0|2,0,0]=4 5065 B9R1.78 C=CC(=O)NC1CC1C ac4ea5e99803f2642639241cf2296460 [0,1,0,1,0,0|2,0,0]=4 5066 B9R1.78 CC1CC1NC(=O)C=O 11e45b3c0cb4be1c030cc515c6ac51d7 [0,1,0,1,0,0|1,0,1]=4 5067 B9R1.78 CC1CC1NC(=O)CF 934ceeb88f84d72da00d41678d8ae7d3 [0,1,0,1,0,0|2,0,0]=4 5068 B9R1.78 CC1CC1NC(=O)CO 740515921c7bf5adffa2bc0f92edb9b2 [0,1,0,1,0,0|1,0,0]=3 5069 B9R1.78 CC1CC1NC(=O)CS a0e64b0c4a347fdee2c703de954081d6 [0,1,0,1,0,0|1,1,0]=4 5070 B9R1.78 CCC(=O)NC1CC1C 42c677a5541bbbde1b9869b4aa770e12 [0,1,0,1,0,0|2,0,0]=4 5071 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 51e2a7a92ef4c96f5697e0bd7910b42a [0,1,0,1,0,0|2,0,0]=4 5072 B9R1.78 O=C(CO)N[C@H]1C[C@@H]1F b195fac97b178a3d5b5f27f1c762dbd8 [0,1,0,1,0,0|2,0,0]=4 5073 B9R1.78 O=C(CO)N[C@H]1C[C@H]1F 8ea1ba659a9f597b9d647ec17a0d8fab [0,1,0,1,0,0|2,0,0]=4 5074 B9R1.79 C#CC(=O)NC1CCC1 d1b6f9342d5f2d331fea3066cb6e81e7 [0,1,0,1,0,0|2,0,0]=4 5075 B9R1.79 C=C(C=O)OC1CCC1 3ce60f8c8bdab9f4b265cf15cc89a954 [0,1,0,1,0,0|2,0,0]=4 5076 B9R1.79 C=C(CN1CCC1)OC 23e2180b78c76bcf0541659ef038c4a5 [0,1,0,1,0,0|2,0,0]=4 5077 B9R1.79 C=C(CO)CN1CCC1 64bc6d515cd9739cc6d94aac10cec8fc [0,1,0,1,0,0|2,0,0]=4 5078 B9R1.79 C=CC(=O)NC1CCC1 c318e34de80e137dfb71a9410142317d [0,1,0,1,0,0|2,0,0]=4 5079 B9R1.79 CCC(=O)CN1CCC1 9b8a54515dd7b03c067360cc9113002b [0,1,0,1,0,0|2,0,0]=4 5080 B9R1.79 CCC(=O)NC1CCC1 269364fc2d30f4a38dda69b505509556 [0,1,0,1,0,0|2,0,0]=4 5081 B9R1.79 CN(C=O)CC1CCC1 7067673fcd6b5e288a96434bde2c4213 [0,1,0,1,0,0|2,0,0]=4 5082 B9R1.79 CN(CO)CC1CCC1 773b3747ae13621c99e8bb01ec83febb [0,1,0,1,0,0|2,0,0]=4 5083 B9R1.79 CNC(=O)CN1CCC1 34c940b2505425ba8a151c0b3e8838b6 [0,1,0,1,0,0|2,0,0]=4 5084 B9R1.79 COC(=O)CN1CCC1 a8f3fa2cf91e8163638e85cafd81936a [0,1,0,1,0,0|1,0,0]=3 5085 B9R1.79 O=C(CF)NC1CCC1 a9d2c830d70e4baef8d8ccbad12e86b4 [0,1,0,1,0,0|2,0,0]=4 5086 B9R1.79 O=C(CO)CN1CCC1 1812f82997ebe060276760730379ad88 [0,1,0,1,0,0|1,0,0]=3 5087 B9R1.79 O=C(CO)NC1CCC1 0966cf85b1996540e8450078e870cb20 [0,1,0,1,0,0|1,0,0]=3 5088 B9R1.79 O=C(CO)NC1COC1 726701ad5a455d4010a3c28e3ea84a4a [0,1,0,1,0,0|2,0,0]=4 5089 B9R1.79 O=CC(=O)NC1CCC1 42e01e0dbbe276ce23cdaf55d5bdf28d [0,1,0,1,0,0|1,0,1]=4 5090 B9R1.80 C#CC(=O)NCC1CC1 daa51788d1ac3e4d3ab8e5651686a376 [0,1,0,1,0,0|2,0,0]=4 5091 B9R1.80 C=C(C=O)OCC1CC1 19c54a69dca512d54cd8a6a00bb7ed8b [0,1,0,1,0,0|2,0,0]=4 5092 B9R1.80 C=C(CNC1CC1)OC 67f94deee5acc57666c6c6c03c894ee9 [0,1,0,1,0,0|2,0,0]=4 5093 B9R1.80 C=C(CO)CNC1CC1 95b9423a322e7856c85f7cd663b8f916 [0,1,0,1,0,0|2,0,0]=4 5094 B9R1.80 C=C(COC1CC1)OC 2ca81d70db6d04dc129c451b52b91565 [0,1,0,1,0,0|2,0,0]=4 5095 B9R1.80 C=CC(=O)NCC1CC1 c82d60596d8326f64870dc97f1275895 [0,1,0,1,0,0|2,0,0]=4 5096 B9R1.80 CCC(=O)CNC1CC1 37826a98e92108ea7fc6fac87e9bc89f [0,1,0,1,0,0|2,0,0]=4 5097 B9R1.80 CCC(=O)COC1CC1 91b908d3bdda21bf408da4d85b40356e [0,1,0,1,0,0|2,0,0]=4 5098 B9R1.80 CCC(=O)NCC1CC1 0fd8034b5195a5a694e4806b7766cc71 [0,1,0,1,0,0|2,0,0]=4 5099 B9R1.80 CNC(=O)CNC1CC1 7b00deb42f44eacf971e8df243f3d5fb [0,1,0,1,0,0|2,0,0]=4 5100 B9R1.80 CNC(=O)COC1CC1 ff73b75ee898dc4ab042a3386accab58 [0,1,0,1,0,0|2,0,0]=4 5101 B9R1.80 COC(=O)CNC1CC1 37b7063fe7ca1fcea414d9751a83b310 [0,1,0,1,0,0|1,0,0]=3 5102 B9R1.80 COC(=O)COC1CC1 ac4fde0d4cebfa3b71c6179e0035aa22 [0,1,0,1,0,0|1,0,0]=3 5103 B9R1.80 O=C(CF)NCC1CC1 bd65a3abd206f713d85d03567008090d [0,1,0,1,0,0|2,0,0]=4 5104 B9R1.80 O=C(CNC1CC1)NO 336918cceffa2835ff69e4f871ea2b67 [0,1,0,1,0,0|1,0,0]=3 5105 B9R1.80 O=C(CO)CNC1CC1 8ca5e06ba58066d00de17d8cea9c9025 [0,1,0,1,0,0|1,0,0]=3 5106 B9R1.80 O=C(CO)NCC1CC1 1aa11e15f6d97fd26e12f2bf021722dd [0,1,0,1,0,0|1,0,0]=3 5107 B9R1.80 O=C(CS)NCC1CC1 4799434c4261038cc690dddbd1100a1e [0,1,0,1,0,0|1,1,0]=4 5108 B9R1.80 O=CC(=O)NCC1CC1 f85b85f0b158ad0ed7afad1789eae3f6 [0,1,0,1,0,0|1,0,1]=4 5109 B9R1.88 CCN1CC1C(=O)OC f034603aa7057edd7cbcbf568fb8f16a [0,1,0,1,0,0|1,0,0]=3 5110 B9R1.88 CCN1C[C@H]1C(=O)OC f91fd31959795f4d191be975337de98c [0,1,0,1,0,0|1,0,0]=3 5111 B9R1.88 COC(=O)C1CN1CF d8920555019a1b54b1f0294fbc450fb1 [0,1,0,1,0,0|2,0,0]=4 5112 B9R1.88 COC(=O)C1CN1CO 90cf4da76cb7c6fe31b6fb3dc60e8f6c [0,1,0,1,0,0|2,0,0]=4 5113 B9R1.88 COC(=O)[C@@H]1CN1CF fc01eb2b8dee62155c1b6ba0209f1261 [0,1,0,1,0,0|2,0,0]=4 5114 B9R1.88 COC(=O)[C@@H]1CN1CO 09a2b35b3698420a9a82ac9cd52accec [0,1,0,1,0,0|2,0,0]=4 5115 B9R1.89 O=CN1CCCCCC1 4a543573026aecbb7f088b43cea970d5 [0,1,0,1,0,0|2,0,0]=4 5116 B9R1.89 OCN1CCCCCC1 62c49bb1745f5c0f3dee14a3d4e5f5d5 [0,1,0,1,0,0|2,0,0]=4 5117 B9R1.6 CC(=O)N1CCCOC1 736ab4cc5910e1cdbf1f270a5cd9760a [0,1,0,1,0,0|2,0,0]=4 5118 B9R1.6 CC(=O)N1CCCSC1 1ff1106b7e69aa264320301adcb4387e [0,1,0,1,0,0|2,0,0]=4 5119 B9R1.6 CC(=O)N1CCOCC1 b274306c5ecbdaabc7e8d85c11df9df8 [0,1,0,1,0,0|2,0,0]=4 5120 B9R1.6 CC(=O)N1CCSCC1 a2a73cc62f318cd0138a717f4c94c193 [0,1,0,1,0,0|2,0,0]=4 5121 B9R1.9 C=C1CC(C1)COCC 48ae8821d11d89700a785dcc61dc7970 [0,1,0,1,0,0|2,0,0]=4 5122 B9R1.9 CCCCN1CC(C1)O 215f48acc2fc8815cb399aeef9253be6 [0,1,0,1,0,0|1,0,1]=4 5123 B9R1.9 CCCNC1CC(=O)C1 367843f6c154ea9b1b2ab5b6982e35c8 [0,1,0,1,0,0|1,0,0]=3 5124 B9R1.9 CCCNC1CC(C1)O 26e1fd9c3b290fcf8d9c8003bb64617c [0,1,0,1,0,0|1,0,1]=4 5125 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 639816bbd8c9f695a6b595dff2c974d9 [0,1,0,1,0,0|1,0,1]=4 5126 B9R1.9 CCCN[C@H]1C[C@H](C1)O 101ec41146bb3047972c082236077d26 [0,1,0,1,0,0|1,0,1]=4 5127 B9R1.9 CCCOC1CC(=O)C1 cb8b05388c0c6b6c847ea07bd6f740db [0,1,0,1,0,0|1,0,0]=3 5128 B9R1.9 CCNCC1CC(C1)O dc9ad7126206f0d70aa4ac14602a03c6 [0,1,0,1,0,0|1,0,1]=4 5129 B9R1.9 CCNC[C@H]1C[C@@H](C1)O a5fe02917c0cdc9924255dc28d603196 [0,1,0,1,0,0|1,0,1]=4 5130 B9R1.9 CCNC[C@H]1C[C@H](C1)O 360d1bc8688ca550e8982ca6ba80f785 [0,1,0,1,0,0|1,0,1]=4 5131 B9R1.9 CCOCC1CC(=O)C1 314fc2b69b99eb56a50a5b1c782af7e0 [0,1,0,1,0,0|1,0,0]=3 5132 B9R1.9 CCOCC1CC(=O)N1 4d4a394646263ac2a76d63e6bf0523d3 [0,1,0,1,0,0|1,0,0]=3 5133 B9R1.9 CCOC[C@@H]1CC(=O)N1 0014850b07eba2466726f06d24d9917a [0,1,0,1,0,0|1,0,0]=3 5134 B9R1.9 CCOC[C@H]1CC(=O)N1 7563fb6dd848526ece65c4c755fed6d6 [0,1,0,1,0,0|1,0,0]=3 5135 B9R1.9 COCOC1CC(=O)C1 8668624ce3b6413d2a3dc8800c63dbda [0,1,0,1,0,0|2,0,0]=4 5136 B9R1.9 CSCOC1CC(=O)C1 39e00fbf30d04523ee40a1edd59aaba8 [0,1,0,1,0,0|2,0,0]=4 5137 B9R1.9 N#CNCC1CC(=O)O1 d89a29c8d9460658b0fe630b965c6bc5 [0,1,0,1,0,0|1,0,1]=4 5138 B9R1.9 O=C1CC(C1)COCF 40a74e1a68fee1bdbb36e00f94af9ff8 [0,1,0,1,0,0|2,0,0]=4 5139 B9R1.9 O=C1CC(C1)NCCI 48572f58f0e7fa4c6fcc90263fe943a2 [0,1,0,1,0,0|2,0,0]=4 5140 B9R1.9 O=C1CC(C1)NCCO d34b558d58ee7ed4205d86ea2fc98ca9 [0,1,0,1,0,0|2,0,0]=4 5141 B9R1.9 O=C1CC(C1)NCCS f43216e2dd4a95f28553da7f3ea34dcf [0,1,0,1,0,0|2,0,0]=4 5142 B9R1.9 O=C1CC(C1)OCCF 4aeea742a38f8f9b865774b021b74956 [0,1,0,1,0,0|2,0,0]=4 5143 B9R1.9 O=C1CC(C1)OCCS d717ffd00e0e75dabfa2c47876548796 [0,1,0,1,0,0|2,0,0]=4 5144 B9R1.9 O=C1CC(N1)COCF 8c8da847da5d4ae8c513496e6185d24d [0,1,0,1,0,0|2,0,0]=4 5145 B9R1.9 O=C1C[C@@H](N1)COCF f8d22592a601004b3477b516e97928c4 [0,1,0,1,0,0|2,0,0]=4 5146 B9R1.9 O=C1C[C@H](N1)COCF a34390cbe63d9463a1a24d40571f2079 [0,1,0,1,0,0|2,0,0]=4 5147 B9R1.46 C=C(Br)CNC1CC1C 6a21ba73831e8c995c5be343bd73ffab [0,1,0,1,0,0|2,0,0]=4 5148 B9R1.46 C=C(C)CNC1CC1C 2b9ed88b52a9db253a701d69a05910c6 [0,1,0,1,0,0|2,0,0]=4 5149 B9R1.46 C=C(Cl)CNC1CC1C 41939aef17647277c90201ff2ab0dbe1 [0,1,0,1,0,0|2,0,0]=4 5150 B9R1.46 C=C(F)CNC1CC1C 9a99a8fc778f2902c8674b440d7aa4db [0,1,0,1,0,0|2,0,0]=4 5151 B9R1.46 CC(O)CNC1CC1C 65a3dce9b80b7e6073fecc0b82a4278c [0,1,0,1,0,0|1,0,1]=4 5152 B9R1.46 CC1CC1NCC(=O)N 0f761d58efdd237db8c0f17aea937594 [0,1,0,1,0,0|1,0,0]=3 5153 B9R1.46 CC1CC1NCC(=O)O 3bfaf8234ce2a2ce9175fc2c1a135a09 [0,1,0,1,0,0|0,0,0]=2 5154 B9R1.46 CC1CC1NC[C@@H](C)O e235a82f857b1ad469c64953d9779c93 [0,1,0,1,0,0|1,0,1]=4 5155 B9R1.46 CC1CC1NC[C@H](C)O 1ffb1a76a30a6fa9c1940857f79ab76f [0,1,0,1,0,0|1,0,1]=4 5156 B9R1.46 CC1CC1NC[N+](=O)[O-] e62512da68fa2e001869e91cd0ad930b [0,1,0,1,0,0|1,0,1]=4 5157 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 3b2b6520b4ae83ab4e1ce2b8b3b6429a [0,1,0,1,0,0|2,0,0]=4 5158 B9R1.46 NC(=O)CN[C@H]1C[C@@H]1F 69bd8c1f10a36ab70a4088bf55d26d09 [0,1,0,1,0,0|2,0,0]=4 5159 B9R1.46 NC(=O)CN[C@H]1C[C@H]1F 2794dd04c73e89c247d26f60b9701a61 [0,1,0,1,0,0|2,0,0]=4 5160 B9R1.46 O=C(O)CN[C@@H]1C[C@H]1F a6c43cdb6b93e8ffb5565a60fb69e134 [0,1,0,1,0,0|1,0,0]=3 5161 B9R1.46 O=C(O)CN[C@H]1C[C@@H]1F 69d5a409f8843b0b8e9804d9f047552d [0,1,0,1,0,0|1,0,0]=3 5162 B9R1.46 O=C(O)CN[C@H]1C[C@H]1F cedd2a80fac675c783fcb497e5c8c7a7 [0,1,0,1,0,0|1,0,0]=3 5163 B9R1.67 CC(=O)NC1CCC1F 55e0226d065f98903a565e96ead37deb [0,1,0,1,0,0|2,0,0]=4 5164 B9R1.67 CC(=O)NC1CCC1O d5d791e34b0dd746abea58e641e7eb71 [0,1,0,1,0,0|2,0,0]=4 5165 B9R1.67 CC(=O)NC1COC1C 8a920b5eb5f4182753f432fdd48c3fbd [0,1,0,1,0,0|2,0,0]=4 5166 B9R1.67 CC(=O)N[C@@H]1CC[C@@H]1O 4643b690b6b53ddad1b5aeb87bd8a349 [0,1,0,1,0,0|2,0,0]=4 5167 B9R1.67 CC(=O)N[C@@H]1CC[C@H]1C 5c49b9b8f08f59f55b778fc02f7c64d4 [0,1,0,1,0,0|1,0,0]=3 5168 B9R1.67 CC(=O)N[C@@H]1CC[C@H]1O fba29ddb8346f550c0015141c61e8c98 [0,1,0,1,0,0|2,0,0]=4 5169 B9R1.67 CC(=O)N[C@H]1CC[C@@H]1O 263fe95019aba723bed92cdedf021005 [0,1,0,1,0,0|2,0,0]=4 5170 B9R1.67 CC(=O)N[C@H]1CC[C@H]1C c339870f892b73bf50fa9d649fc76de5 [0,1,0,1,0,0|1,0,0]=3 5171 B9R1.67 CC(=O)N[C@H]1CC[C@H]1O 2992e307b4aa4b78fb6fc80c541a013f [0,1,0,1,0,0|2,0,0]=4 5172 B9R1.84 C=C(Br)CNC1CCC1 b5332afd557992b85a5b176b740e7ead [0,1,0,1,0,0|2,0,0]=4 5173 B9R1.84 C=C(Br)COC1CCC1 f0299dc579956f565c871cc427746846 [0,1,0,1,0,0|2,0,0]=4 5174 B9R1.84 C=C(C)CCN1CCC1 b236683847aba1fe01d439e57227afaa [0,1,0,1,0,0|2,0,0]=4 5175 B9R1.84 C=C(C)CNC1CCC1 4a23e4c060f1fb43861ecdae16709370 [0,1,0,1,0,0|2,0,0]=4 5176 B9R1.84 C=C(C)COC1CCC1 543c9c519279dd68009467313a91bb34 [0,1,0,1,0,0|2,0,0]=4 5177 B9R1.84 C=C(Cl)CNC1CCC1 fd97072f13db5e9d4614f7e2de2ea754 [0,1,0,1,0,0|2,0,0]=4 5178 B9R1.84 C=C(Cl)COC1CCC1 0ed4ba90e018bc78f519c36cbf723e49 [0,1,0,1,0,0|2,0,0]=4 5179 B9R1.84 C=C(F)CNC1CCC1 4937bd35b62cb510ffde34809b286e41 [0,1,0,1,0,0|2,0,0]=4 5180 B9R1.84 C=C(F)COC1CCC1 4e2e517366406bc26b5321085d6c13f4 [0,1,0,1,0,0|2,0,0]=4 5181 B9R1.84 C=C(I)COC1CCC1 f7e50cec6d8c94d518e081f2313fe81f [0,1,0,1,0,0|2,0,0]=4 5182 B9R1.84 CC(=O)CCN1CCC1 c956718020bd2b18bed19cbea6541b6f [0,1,0,1,0,0|1,0,0]=3 5183 B9R1.84 CC(=O)CNC1CCC1 bd7acdba40fc474c96d220c49c50bbfc [0,1,0,1,0,0|1,0,0]=3 5184 B9R1.84 CC(=O)CNC1COC1 34b9c76c982929db7f109f80d0c4fd5e [0,1,0,1,0,0|2,0,0]=4 5185 B9R1.84 CC(=O)COC1CCC1 d88d952edae987109b22eaffa67aceef [0,1,0,1,0,0|1,0,0]=3 5186 B9R1.84 CC(=O)COC1COC1 5801aa7efbf00c0e367deacdd1b9cb40 [0,1,0,1,0,0|2,0,0]=4 5187 B9R1.84 CC(=O)NCC1CCC1 49ba76efa54494cc240e1d7dd1323f42 [0,1,0,1,0,0|1,0,0]=3 5188 B9R1.84 CC(=O)NCC1CCO1 74e9962ae59f4502bd57c52161ee5de6 [0,1,0,1,0,0|2,0,0]=4 5189 B9R1.84 CC(=O)NCC1COC1 06f36132d2ba2aaa4f8f4e9acac72ed3 [0,1,0,1,0,0|2,0,0]=4 5190 B9R1.84 CC(=O)NC[C@@H]1CCO1 baaf61a8c2cd88fd09af18fef905e8f1 [0,1,0,1,0,0|2,0,0]=4 5191 B9R1.84 CC(=O)NC[C@H]1CCO1 089f4a24e0b07350837a3d7a33ecfc52 [0,1,0,1,0,0|2,0,0]=4 5192 B9R1.84 CC(=O)OCN1CCC1 638bb9b9bb086da0d3d66884a5e5b05c [0,1,0,1,0,0|2,0,0]=4 5193 B9R1.84 CC(O)CCN1CCC1 ff9e837ea604ad4bb78d61aacd2e986b [0,1,0,1,0,0|1,0,1]=4 5194 B9R1.84 CC(O)CNC1CCC1 96bd5539a723730488cc31c0d270b12a [0,1,0,1,0,0|1,0,1]=4 5195 B9R1.84 CS(=O)CCN1CCC1 19f0b29a53ac90d43023e7a94eee5ed2 [0,1,0,1,0,0|2,0,0]=4 5196 B9R1.84 C[C@@H](O)CNC1CCC1 4d88206ac709e75f636226694fa1d13f [0,1,0,1,0,0|1,0,1]=4 5197 B9R1.84 C[C@H](O)CNC1CCC1 5643d23a46e4aad5f7f358d5677f0135 [0,1,0,1,0,0|1,0,1]=4 5198 B9R1.84 NC(=O)CCN1CCC1 7c7dcf2beb6babc71bb570ae0577e033 [0,1,0,1,0,0|1,0,0]=3 5199 B9R1.84 NC(=O)CNC1CCC1 22d17700eecb0c06f3b842c18a223914 [0,1,0,1,0,0|1,0,0]=3 5200 B9R1.84 NC(=O)CNC1COC1 a8c2e3a30adc74103bfe0a6e7bc55c70 [0,1,0,1,0,0|2,0,0]=4 5201 B9R1.84 NC(=O)COC1CCC1 2e70bd2c52f1b1ce8734b1f0deba9c6c [0,1,0,1,0,0|1,0,0]=3 5202 B9R1.84 NC(=O)COC1COC1 bc67e502b04ada45953557a5c7290473 [0,1,0,1,0,0|2,0,0]=4 5203 B9R1.84 NC(=O)COC1CSC1 b2fb3a99e520396fb80d4daaad793056 [0,1,0,1,0,0|2,0,0]=4 5204 B9R1.84 NC(=O)SCN1CCC1 27cb4cd83017a3127f67b165efda134e [0,1,0,1,0,0|2,0,0]=4 5205 B9R1.84 NC(=S)COC1CCC1 2859db688683b26698d3d7e03074b26a [0,1,0,1,0,0|1,1,0]=4 5206 B9R1.84 O=C(O)CCN1CCC1 c7456b9216b4090bb9138555bed1407a [0,1,0,1,0,0|0,0,0]=2 5207 B9R1.84 O=C(O)CNC1CCC1 cd102a6a388082590edc8eed5830f2b0 [0,1,0,1,0,0|0,0,0]=2 5208 B9R1.84 O=C(O)CNC1COC1 6bb06b4c2db0ff27bdfc2db31b9d0a43 [0,1,0,1,0,0|1,0,0]=3 5209 B9R1.84 O=C(O)COC1CCC1 6ea2b5eaf8c15cb47b19add287442093 [0,1,0,1,0,0|0,0,0]=2 5210 B9R1.84 O=C(O)COC1COC1 018c9639a2203f1b493d64da9ef6e678 [0,1,0,1,0,0|1,0,0]=3 5211 B9R1.84 O=C(O)COC1CSC1 386bd6c5f64faff25702916ce2fff970 [0,1,0,1,0,0|1,0,0]=3 5212 B9R1.84 O=S(O)COC1CCC1 41f090ccc207301c7067fca8add75b7b [0,1,0,1,0,0|1,0,0]=3 5213 B9R1.84 O=[N+]([O-])CNC1CCC1 f1e5213872773fd463505dddc18fadf3 [0,1,0,1,0,0|1,0,1]=4 5214 B9R1.84 O=[N+]([O-])COC1CCC1 a48e089ba01b1bd1072131689cc3ec6e [0,1,0,1,0,0|1,0,1]=4 5215 B9R1.85 C=C(Br)CCOC1CC1 e3312cf41fc063801f575f3664b7e218 [0,1,0,1,0,0|2,0,0]=4 5216 B9R1.85 C=C(Br)CNCC1CC1 48d2e19cc12571f0b747d8946a047a66 [0,1,0,1,0,0|2,0,0]=4 5217 B9R1.85 C=C(Br)COCC1CC1 72eed00bc2f8e00b0099015e72c2cd8f [0,1,0,1,0,0|2,0,0]=4 5218 B9R1.85 C=C(C)CCNC1CC1 6ae96494db2a3a4fc4ed3a2a1637d035 [0,1,0,1,0,0|2,0,0]=4 5219 B9R1.85 C=C(C)CCOC1CC1 ddccda51fae4017136f8b3a868b4dd9c [0,1,0,1,0,0|2,0,0]=4 5220 B9R1.85 C=C(C)CNCC1CC1 628bc75d287b4f812cc8465de02f17f7 [0,1,0,1,0,0|2,0,0]=4 5221 B9R1.85 C=C(C)COCC1CC1 603f38758eee841c895005229814bd4b [0,1,0,1,0,0|2,0,0]=4 5222 B9R1.85 C=C(Cl)CNCC1CC1 6872c59df27d0869a77c777c3f4cc4b5 [0,1,0,1,0,0|2,0,0]=4 5223 B9R1.85 C=C(Cl)COCC1CC1 e89eb66864a4bf1519ae687951fd59fe [0,1,0,1,0,0|2,0,0]=4 5224 B9R1.85 C=C(F)CNCC1CC1 8a1f3f077a28213a137b73fb34c4bbae [0,1,0,1,0,0|2,0,0]=4 5225 B9R1.85 C=C(F)COCC1CC1 1221b82cfe1b9ce180c9dd23d57c682a [0,1,0,1,0,0|2,0,0]=4 5226 B9R1.85 C=C(I)COCC1CC1 488dc2053d0eed68e56b9809cc9fb852 [0,1,0,1,0,0|2,0,0]=4 5227 B9R1.85 CC(=O)CCNC1CC1 47abd95c844e9d1957c333790f465980 [0,1,0,1,0,0|1,0,0]=3 5228 B9R1.85 CC(=O)CCOC1CC1 71bcc53c6961c217f2fe0eeac463e457 [0,1,0,1,0,0|1,0,0]=3 5229 B9R1.85 CC(=O)CNCC1CC1 0e70ea741601e77cf733a6778389766b [0,1,0,1,0,0|1,0,0]=3 5230 B9R1.85 CC(=O)COCC1CC1 e2c3813cb7e7a8aa347ec5eecae51c32 [0,1,0,1,0,0|1,0,0]=3 5231 B9R1.85 CC(=O)NCCC1CC1 e17912b5d20abd22f2eb1736360bbd32 [0,1,0,1,0,0|1,0,0]=3 5232 B9R1.85 CC(=O)NCCN1CC1 5a0c4535a5a496142ea1508023641fc9 [0,1,0,1,0,0|2,0,0]=4 5233 B9R1.85 CC(=O)NCOC1CC1 70ce6f7c14c837c1b045f23cbea930af [0,1,0,1,0,0|2,0,0]=4 5234 B9R1.85 CC(=O)OCNC1CC1 da62e5e32d1f81a77a949f5af5a6b75f [0,1,0,1,0,0|2,0,0]=4 5235 B9R1.85 CC(=O)OCOC1CC1 629a62a109941175cd54150945f4f00b [0,1,0,1,0,0|2,0,0]=4 5236 B9R1.85 CC(O)CCNC1CC1 d831798b3bd96a2a1eb8b44ce820c125 [0,1,0,1,0,0|1,0,1]=4 5237 B9R1.85 CC(O)CNCC1CC1 d26bf0aff11e769c3c0521de341f8a80 [0,1,0,1,0,0|1,0,1]=4 5238 B9R1.85 CS(=O)CCNC1CC1 5168ea55db471330d31f17c7dec6d5ef [0,1,0,1,0,0|2,0,0]=4 5239 B9R1.85 CS(=O)CCOC1CC1 0eb2c24935f0b7436887342c8c46aa3d [0,1,0,1,0,0|2,0,0]=4 5240 B9R1.85 C[C@@H](O)CCNC1CC1 2d686f06321c342337ad7e01b43fcacd [0,1,0,1,0,0|1,0,1]=4 5241 B9R1.85 C[C@@H](O)CNCC1CC1 ce262ca96d5a775c1975cb27b5722822 [0,1,0,1,0,0|1,0,1]=4 5242 B9R1.85 C[C@H](O)CCNC1CC1 75122ad820ea85c9501aa14d2208e1b1 [0,1,0,1,0,0|1,0,1]=4 5243 B9R1.85 C[C@H](O)CNCC1CC1 26c3c4331f1fa042d0a655439dfd87b7 [0,1,0,1,0,0|1,0,1]=4 5244 B9R1.85 NC(=O)CCNC1CC1 483a1398436bb03ac3b47583a045e7fa [0,1,0,1,0,0|1,0,0]=3 5245 B9R1.85 NC(=O)CCOC1CC1 e606ed505d7697d9f714c4395a14fa31 [0,1,0,1,0,0|1,0,0]=3 5246 B9R1.85 NC(=O)CNCC1CC1 20ebedd011b375c931ef532bff65156e [0,1,0,1,0,0|1,0,0]=3 5247 B9R1.85 NC(=O)COCC1CC1 96a956ffbb3f4717e41e4ec22d046bcb [0,1,0,1,0,0|1,0,0]=3 5248 B9R1.85 NC(=O)NCOC1CC1 6c6241a0ba40cff9ded7f5b2fd89b8c6 [0,1,0,1,0,0|2,0,0]=4 5249 B9R1.85 NC(=O)SCNC1CC1 31363d66faf309bf152bf4f8fb990bb1 [0,1,0,1,0,0|2,0,0]=4 5250 B9R1.85 NC(=O)SCOC1CC1 a67d6152d32b3e27dc058c54797ca56f [0,1,0,1,0,0|2,0,0]=4 5251 B9R1.85 NC(=S)CCNC1CC1 dabf37beef5e7d4a005079c313648b28 [0,1,0,1,0,0|1,1,0]=4 5252 B9R1.85 NC(=S)COCC1CC1 c305a74582f848a2e9b8ad48ea04e199 [0,1,0,1,0,0|1,1,0]=4 5253 B9R1.85 O=C(O)CCNC1CC1 d7e51b454c1ee077c45877f37cbd9dbc [0,1,0,1,0,0|0,0,0]=2 5254 B9R1.85 O=C(O)CCOC1CC1 920ebb5ee7c45a619a1db975c9276d90 [0,1,0,1,0,0|0,0,0]=2 5255 B9R1.85 O=C(O)CNCC1CC1 8970904c8ad5ee5911fea5cdeb7d255c [0,1,0,1,0,0|0,0,0]=2 5256 B9R1.85 O=C(O)COCC1CC1 bc7f43afa7576a49960c4f48c84cf235 [0,1,0,1,0,0|0,0,0]=2 5257 B9R1.85 O=S(O)CCNC1CC1 94430ad6d7db95012341d5c559357b1e [0,1,0,1,0,0|1,0,0]=3 5258 B9R1.85 O=S(O)COCC1CC1 0d96823bb52c88fc09e1ef8215fd789f [0,1,0,1,0,0|1,0,0]=3 5259 B9R1.85 O=[N+]([O-])CCOC1CC1 3f50b65f1c424b0211e3f7a3098afb59 [0,1,0,1,0,0|1,0,1]=4 5260 B9R1.85 O=[N+]([O-])CNCC1CC1 76f5a8ee734858575227517ac39bd00f [0,1,0,1,0,0|1,0,1]=4 5261 B9R1.85 O=[N+]([O-])COCC1CC1 ee8a76dfb23d62fde6d21e146aec884c [0,1,0,1,0,0|1,0,1]=4 5262 B9R1.96 CC(=O)N1CCC1CO 4d698f746732a35d30d4a2a283dfba7a [0,1,0,1,0,0|2,0,0]=4 5263 B9R1.96 CC(=O)N1CC[C@@H]1CO 03a3cbc0642d664b630044c6f3081dfc [0,1,0,1,0,0|2,0,0]=4 5264 B9R1.96 CC(=O)N1CC[C@H]1CO e8831b596318a484a992d94f488d625a [0,1,0,1,0,0|2,0,0]=4 5265 B9R1.96 CCC1CCN1C(=O)C f8a8c2660e185a53a38bd009b5fd9a1e [0,1,0,1,0,0|1,0,0]=3 5266 B9R1.96 CCN1CCC1C(=O)N 1cfe5ebf987ecebafa868cbdeb4b7422 [0,1,0,1,0,0|1,0,0]=3 5267 B9R1.96 CCN1CCC1C(=O)O ca0bbfd670281167636f7e4dd4cc56bf [0,1,0,1,0,0|0,0,0]=2 5268 B9R1.96 CCN1CC[C@@H]1C(=O)N d26915c9d0e6ed65803bfdf786a1b1ce [0,1,0,1,0,0|1,0,0]=3 5269 B9R1.96 CCN1CC[C@@H]1C(=O)O e809f9b39a76e5f73ee720d520f2d8da [0,1,0,1,0,0|0,0,0]=2 5270 B9R1.96 CCN1CC[C@H]1C(=O)N 32f8eb51fb894d3b554c30dd0433e814 [0,1,0,1,0,0|1,0,0]=3 5271 B9R1.96 CCN1CC[C@H]1C(=O)O 90d4ef3b77b2d2edfd444739e71a1146 [0,1,0,1,0,0|0,0,0]=2 5272 B9R1.96 NC(=O)C1CCN1CF 7e26fbd4c0256bdec99f2bbb3baf2130 [0,1,0,1,0,0|2,0,0]=4 5273 B9R1.96 NC(=O)C1CCN1CO f4000c84d952eade99020a829f553245 [0,1,0,1,0,0|2,0,0]=4 5274 B9R1.96 NC(=O)[C@@H]1CCN1CF e88364b41becd763b132e401e03969af [0,1,0,1,0,0|2,0,0]=4 5275 B9R1.96 NC(=O)[C@@H]1CCN1CO 2441a2a8cc07592b331fc68f9d6b6291 [0,1,0,1,0,0|2,0,0]=4 5276 B9R1.96 NC(=O)[C@H]1CCN1CF 65e3b1f4166374d1a9fab6df019a123e [0,1,0,1,0,0|2,0,0]=4 5277 B9R1.96 NC(=O)[C@H]1CCN1CO df672a69977a513555269b135b27e07d [0,1,0,1,0,0|2,0,0]=4 5278 B9R1.96 O=C(O)C1CCN1CF a73c50a5747fbf1c9dcb89ff140eef56 [0,1,0,1,0,0|1,0,0]=3 5279 B9R1.96 O=C(O)C1CCN1CO dcd47fec92d7cd22c146c2f982367c0e [0,1,0,1,0,0|1,0,0]=3 5280 B9R1.96 O=C(O)[C@@H]1CCN1CF 33bf6032edb12ba6e0c6af4b3ab637c5 [0,1,0,1,0,0|1,0,0]=3 5281 B9R1.96 O=C(O)[C@@H]1CCN1CO 2d3df4b77e74f2ed1add2f1fa0f35f44 [0,1,0,1,0,0|1,0,0]=3 5282 B9R1.96 O=C(O)[C@H]1CCN1CF 732a43f42ed58b977b82331718d13123 [0,1,0,1,0,0|1,0,0]=3 5283 B9R1.96 O=C(O)[C@H]1CCN1CO 49245c491708831bcf451e59d5634aff [0,1,0,1,0,0|1,0,0]=3 5284 B9R1.35 CC(=O)N1CCC(C1)C 62fae45163ab5fc8df8ad46633eee0ac [0,1,0,1,0,0|2,0,0]=4 5285 B9R1.35 CC(=O)N1CCC(C1)F a6d7f64dfc4ae3923d1e882541a80fe0 [0,1,0,1,0,0|2,0,0]=4 5286 B9R1.35 CC(=O)N1CCC(C1)O d6f7e3e992ee3d9bc88f42beae2651f4 [0,1,0,1,0,0|2,0,0]=4 5287 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1016d6a16006ef8ebfa1a324326808d5 [0,1,0,1,0,0|2,0,0]=4 5288 B9R1.35 CC(=O)N1CC[C@@H](C1)O eba103538f34c1984ba106a2ce04ce40 [0,1,0,1,0,0|2,0,0]=4 5289 B9R1.35 CC(=O)N1CC[C@H](C1)F 286010f93b872d924c1e32cdd70d17f3 [0,1,0,1,0,0|2,0,0]=4 5290 B9R1.35 CC(=O)N1CC[C@H](C1)O a7a4738d457ef17a95fd7f51dd477d8d [0,1,0,1,0,0|2,0,0]=4 5291 B9R1.95 CCC1CN(C1)C(=O)C bab914ace2e180340bf5a20b479d0aae [0,1,0,1,0,0|2,0,0]=4 5292 B9R1.95 CCN1CC(C1)C(=O)N 9f7db4592c3ec9a62c68649606469901 [0,1,0,1,0,0|2,0,0]=4 5293 B9R1.95 CCN1CC(C1)C(=O)O 081311d3c14b920e24630a696a7ba3f7 [0,1,0,1,0,0|1,0,0]=3 5294 B9R1.95 O=C(O)C1CN(C1)CF 5858d7f931a4d75f836d678fe2360033 [0,1,0,1,0,0|2,0,0]=4 5295 B9R1.95 O=C(O)C1CN(C1)CO 464a11c339a26b6ec21bbe92982237ee [0,1,0,1,0,0|2,0,0]=4 5296 B9R1.110 CC(=O)C(C)N1CCC1 9f219de39e89ec6f8e9e33807d8dd477 [0,1,0,1,0,0|2,0,0]=4 5297 B9R1.110 CC(=O)N(C)C1CCC1 a2c06594b7418a1a27e295f2f752df67 [0,1,0,1,0,0|2,0,0]=4 5298 B9R1.110 CC(C(=O)N)N1CCC1 a1dc9b019a6e9acad5c67a5e190ec480 [0,1,0,1,0,0|2,0,0]=4 5299 B9R1.110 CC(C(=O)O)N1CCC1 ec88a5e0123d5408898cf9e078ab2e9b [0,1,0,1,0,0|1,0,0]=3 5300 B9R1.110 C[C@@H](C(=O)N)N1CCC1 dd4f35b4b6ab8335efe58846193101fd [0,1,0,1,0,0|2,0,0]=4 5301 B9R1.110 C[C@@H](C(=O)O)N1CCC1 6d9f8aa04608a34debfa26472baad0e1 [0,1,0,1,0,0|1,0,0]=3 5302 B9R1.110 C[C@H](C(=O)N)N1CCC1 b9d6d0dceb5dec389ff05336a36af3fb [0,1,0,1,0,0|2,0,0]=4 5303 B9R1.110 C[C@H](C(=O)O)N1CCC1 b83116f410ba3b08b132985605530e43 [0,1,0,1,0,0|1,0,0]=3 5304 B9R1.112 CC(=O)C(C)NC1CC1 578daf6a12a73f9663c981f7bceeda1f [0,1,0,1,0,0|2,0,0]=4 5305 B9R1.112 CC(=O)C(C)OC1CC1 30ddb4c797d348d98c57f0ee09328957 [0,1,0,1,0,0|2,0,0]=4 5306 B9R1.112 CC(=O)N(C)CC1CC1 aa2557343c0335a57b22c64ac85ef07a [0,1,0,1,0,0|2,0,0]=4 5307 B9R1.112 CC(NC1CC1)C(=O)N a9c7d74ade2ebdd224a39302f5d18bf9 [0,1,0,1,0,0|2,0,0]=4 5308 B9R1.112 CC(NC1CC1)C(=O)O 9f16a679f53d1b6a7c598414dcc647c1 [0,1,0,1,0,0|1,0,0]=3 5309 B9R1.112 CC(OC1CC1)C(=O)N ff199b18df903389d7880a27249a0987 [0,1,0,1,0,0|2,0,0]=4 5310 B9R1.112 CC(OC1CC1)C(=O)O c571a164b07a3b0ff7a8556f8699f4a3 [0,1,0,1,0,0|1,0,0]=3 5311 B9R1.112 C[C@@H](NC1CC1)C(=O)N 70939fc330ba98da8c1645b9a6f3fcf3 [0,1,0,1,0,0|2,0,0]=4 5312 B9R1.112 C[C@@H](NC1CC1)C(=O)O 0af862409a6887d25e25f4a186199a51 [0,1,0,1,0,0|1,0,0]=3 5313 B9R1.112 C[C@@H](OC1CC1)C(=O)N b484ddfdefe2c8309e61fe2ab731ce12 [0,1,0,1,0,0|2,0,0]=4 5314 B9R1.112 C[C@@H](OC1CC1)C(=O)O 02a1dfde219281849e31ed75d43f36ac [0,1,0,1,0,0|1,0,0]=3 5315 B9R1.112 C[C@H](NC1CC1)C(=O)N 473107cd3bb6f22d12833b7f8fb42b5a [0,1,0,1,0,0|2,0,0]=4 5316 B9R1.112 C[C@H](NC1CC1)C(=O)O 8f50576c81c731defbf87059fbc2bbc5 [0,1,0,1,0,0|1,0,0]=3 5317 B9R1.112 C[C@H](OC1CC1)C(=O)N ed60384573a6c99d11104280606c6783 [0,1,0,1,0,0|2,0,0]=4 5318 B9R1.112 C[C@H](OC1CC1)C(=O)O 3ff101290c7cafe95c2fba539b32018c [0,1,0,1,0,0|1,0,0]=3 5319 B9R1.112 NC(=O)C(F)NC1CC1 7adad0e454ca386173410c7972b3c197 [0,1,0,1,0,0|2,0,0]=4 5320 B9R1.112 NC(=O)C(F)OC1CC1 94c45270fa68d3f441203320255f3431 [0,1,0,1,0,0|2,0,0]=4 5321 B9R1.112 O=C(O)C(F)NC1CC1 ab0cb5dbff8f96a53d4ab238afd2e5b2 [0,1,0,1,0,0|1,0,0]=3 5322 B9R1.112 O=C(O)C(O)NC1CC1 5879b8d2b4559669899973f84acbc223 [0,1,0,1,0,0|1,0,0]=3 5323 B9R1.112 O=C(O)[C@H](F)NC1CC1 2357739b82c4749fceebf72401d17ad2 [0,1,0,1,0,0|1,0,0]=3 5324 B9R1.147 CC(=O)NCC1(CC1)F a14b14ba22a98917bd71440d108400f9 [0,1,0,1,0,0|2,0,0]=4 5325 B9R1.147 CC(=O)NCC1(CC1)O d545e148c8e5a1bc54e3d5cdc886cdb3 [0,1,0,1,0,0|2,0,0]=4 5326 B9R1.147 CC1(CC1)NCC(=O)N 5520a845dfeb47eb234a7ac329e973b0 [0,1,0,1,0,0|2,0,0]=4 5327 B9R1.147 CC1(CC1)NCC(=O)O 791305df7ecb343fa5b5da54e63f6381 [0,1,0,1,0,0|1,0,0]=3 5328 B9R1.114 O=S(=O)(O)CN1CCC1 ad455adafb90a78e628b176ee026a442 [0,1,0,1,0,0|2,0,0]=4 5329 B9R1.115 O=S(=O)(O)CNC1CC1 d72acda699e56ea960fa2935214e9037 [0,1,0,1,0,0|2,0,0]=4 5330 B9R1.115 O=S(=O)(O)COC1CC1 763321c3b2a4dc1ad4a461d788f7152d [0,1,0,1,0,0|2,0,0]=4 5331 B9R1.170 CC(=O)NC1CC1(C)C 61c79b4e42c36bc7a9365ff180f14cdd [0,1,0,1,0,0|2,0,0]=4 5332 B9R1.170 CC(=O)N[C@@H]1CC1(C)C eba22b1ed44543f7d679da436f8b8d30 [0,1,0,1,0,0|2,0,0]=4 5333 B9R1.170 CC(=O)N[C@H]1CC1(C)C 8c767d53d5dfba1d912673d478483d51 [0,1,0,1,0,0|2,0,0]=4 5334 B9R1.170 CC1(CN1CC(=O)N)C 86e9bc4697c2603d8bce2ffd0971da9c [0,1,0,1,0,0|2,0,0]=4 5335 B9R1.170 CC1(CN1CC(=O)O)C 3ccf565e03ddb18b56e78099947f70c7 [0,1,0,1,0,0|1,0,0]=3