0 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,0,0,0,0,0|1,0,2]=3 1 B6R0.4 C#CCOC(C)C f06fe85c789040b5be09600decc77ea1 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,0,0,0,0,0|4,0,0]=4 6 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [0,0,0,0,0,0|1,0,3]=4 13 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,0,0,0,0,0|2,0,0]=2 20 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,0,0,0,0,0|2,0,0]=2 21 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [0,0,0,0,0,0|3,0,1]=4 25 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [0,0,0,0,0,0|3,0,1]=4 26 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [0,0,0,0,0,0|3,0,1]=4 27 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.4 CC(C)OCC#N 1be7e1885bd3670d21ecc2d4422857b0 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [0,0,0,0,0,0|2,0,1]=3 31 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,0,0,0,0,0|1,0,0]=1 33 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,0,0,0,0,0|1,0,1]=2 35 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,0,0,0,0,0|3,0,1]=4 39 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,0,0,0,0,0|2,0,0]=2 43 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,0,0,0,0,0|3,0,0]=3 44 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,0,0,0,0,0|3,1,0]=4 46 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,0,0,0,0,0|3,0,1]=4 47 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,0,0,0,0,0|2,1,1]=4 49 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,0,0,0,0,0|4,0,0]=4 50 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,0,0,0,0,0|2,0,1]=3 53 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,0,0,0,0,0|2,0,1]=3 54 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,0,0,0,0,0|4,0,0]=4 55 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,0,0,0,0,0|4,0,0]=4 56 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,0,0,0,0,0|4,0,0]=4 57 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,0,0,0,0,0|4,0,0]=4 58 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,0,0,0,0,0|4,0,0]=4 60 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,0,0,0,0,0|0,0,3]=4 64 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|1,0,0]=2 66 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|0,0,1]=2 70 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,0,0,0,0|2,0,1]=4 74 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,0,0,0,0|1,0,1]=3 79 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|1,0,1]=3 80 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,0,0,0,0,0|2,0,1]=4 81 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,0,0,0,0|2,0,0]=3 85 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [0,1,0,0,0,0|1,0,2]=4 90 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [0,1,0,0,0,0|1,0,2]=4 92 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,1,0,0,0,0|3,0,0]=4 93 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,1,0,0,0,0|1,0,2]=4 94 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,1,0,0,0,0|2,0,0]=3 98 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [0,1,0,0,0,0|2,0,1]=4 99 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [0,1,0,0,0,0|2,0,1]=4 101 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,1,0,0,0,0|1,0,0]=2 102 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,1,0,0,0,0|3,0,0]=4 105 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,1,0,0,0,0|3,0,0]=4 106 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,1,0,0,0,0|2,0,1]=4 111 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,1,0,0,0,0|1,0,1]=3 112 B7R0.3 C#CC(=O)NCCBr 4e7606b090d079dad338fcb3b3531ca6 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,1,0,0,0,0|1,0,1]=3 114 B7R0.3 C#CC(=O)NCCF 0890b45106e9e8df323c27183e746605 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.3 C#CC(=O)NCCI b79a2019875390d416fe2aefcbe1af43 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.3 C#CC(C)NCCC 0f597b1bca0c5618e6a85d1db7ea6731 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [0,1,0,0,0,0|1,0,1]=3 120 B7R0.3 C#CC(C)OCCF 7774b00cacd5f01f93b97c582c22aebc [0,1,0,0,0,0|2,0,1]=4 121 B7R0.3 C#CC(C)OCCS 677d2cf41c5776b9322f569b2e20ad78 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.3 C#CC(C)OCOC f493f96c2be9b9205978c019e3195ea7 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,1,0,0,0,0|1,0,2]=4 125 B7R0.3 C#CCNC(=O)CF eb4eda342cbed92c949eab745f85779c [0,1,0,0,0,0|1,0,2]=4 126 B7R0.3 C#CCNC(=O)CO 2c93e118ea6c2ce38cf0db5343c819bd [0,1,0,0,0,0|1,0,2]=4 127 B7R0.3 C#CCNC(=O)CS cd4e37f8b8830653a130a09363dce8f6 [0,1,0,0,0,0|1,0,2]=4 128 B7R0.3 C#CCOC(=C)C=O ced1e021bc6a744880f2ef348f605d5b [0,1,0,0,0,0|0,0,3]=4 129 B7R0.3 C#CCOC(C)C=O 5e078bffbbf24660e1e42ec455de06b7 [0,1,0,0,0,0|0,0,3]=4 130 B7R0.3 C#CCO[C@H](C)C=O 3dffa8d1b413bae459ea6e9776898d1a [0,1,0,0,0,0|0,0,3]=4 131 B7R0.3 C#C[C@@H](C)NCCC 27ba225c67029d8236c87fc6721fad3a [0,1,0,0,0,0|2,0,1]=4 132 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [0,1,0,0,0,0|1,0,1]=3 133 B7R0.3 C#C[C@@H](C)OCCF 3310abc989f1679a61ca80b2a539306c [0,1,0,0,0,0|2,0,1]=4 134 B7R0.3 C#C[C@@H](C)OCCS 4e04a11dc65e84e3c6145d59508cdb0d [0,1,0,0,0,0|2,0,1]=4 135 B7R0.3 C#C[C@@H](C)OCOC b5f2510f611fba5c0b90597284089504 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.3 C#C[C@H](C)NCCC 870e3ac73d57aa9963af4d33ccaf86fd [0,1,0,0,0,0|2,0,1]=4 138 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.3 C#C[C@H](C)OCCF 16f3c962063cbc9a1612a19a77fc207b [0,1,0,0,0,0|2,0,1]=4 140 B7R0.3 C#C[C@H](C)OCCS 42ab997997a9001ee9da9446c6900cb0 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.3 C#C[C@H](C)OCOC 7a874ba6eb8c315241b513f50f519c90 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.3 C=C(C=O)OCC#N bcebcba3ad02786b6cd38de5985d1826 [0,1,0,0,0,0|1,0,2]=4 144 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [0,1,0,0,0,0|1,0,2]=4 145 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,1,0,0,0,0|0,0,1]=2 146 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,1,0,0,0,0|1,0,1]=3 147 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,1,0,0,0,0|1,0,1]=3 148 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,1,0,0,0,0|1,0,1]=3 149 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,1,0,0,0,0|1,0,1]=3 150 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,1,0,0,0,0|1,0,1]=3 152 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,1,0,0,0,0|2,0,1]=4 153 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,1,0,0,0,0|1,0,1]=3 158 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,1,0,0,0,0|2,0,1]=4 160 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,1,0,0,0,0|2,0,1]=4 161 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.3 C=CCOC(=C)C=O e6886899fd17c4b0e35e10fadb840144 [0,1,0,0,0,0|0,0,3]=4 163 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [0,1,0,0,0,0|0,0,3]=4 164 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,1,0,0,0,0|1,0,1]=3 165 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,1,0,0,0,0|2,0,1]=4 168 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,1,0,0,0,0|2,0,1]=4 169 B7R0.3 CC(C#N)OCCS 54ef71d430fa96d7cb92c30410fb9da9 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,1,0,0,0,0|2,0,1]=4 171 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,1,0,0,0,0|2,0,1]=4 172 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,1,0,0,0,0|2,0,1]=4 173 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,1,0,0,0,0|2,0,1]=4 174 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.3 CC(C=O)OCC#N 63783513853e77240eef1d91c3d59345 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,1,0,0,0,0|1,0,2]=4 177 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,1,0,0,0,0|1,0,1]=3 178 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,1,0,0,0,0|1,0,1]=3 179 B7R0.3 CC(CF)OCCF 61970d4a8d2156da592b0c1d02226f38 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.3 CC(CF)OCCS 1b0e427f947de38ae03c6161eb7f3753 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [0,1,0,0,0,0|1,1,1]=4 182 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [0,1,0,0,0,0|1,1,1]=4 183 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,1,0,0,0,0|3,0,0]=4 184 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,0,0,0,0|2,0,0]=3 189 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,0,0,0,0|2,0,0]=3 190 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,1,0,0,0,0|2,0,1]=4 191 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,1,0,0,0,0|2,0,1]=4 192 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,1,0,0,0,0|2,0,0]=3 195 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.3 CCCCN(C)CF be372279d4be2902bb76b9de8a48abc5 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,1,0,0,0,0|2,0,1]=4 198 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,1,0,0,0,0|1,0,1]=3 199 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,0,0,0,0|1,0,0]=2 200 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,1,0,0,0,0|1,0,0]=2 201 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,0,0,0,0|1,0,0]=2 202 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,1,0,0,0,0|1,0,0]=2 203 B7R0.3 CCCNC(C)C#N e68d5a808283376392b45cfe49aa2551 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,1,0,0,0,0|1,0,1]=3 205 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,1,0,0,0,0|1,0,2]=4 207 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,1,0,0,0,0|1,0,2]=4 209 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,1,0,0,0,0|1,0,1]=3 210 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,1,0,0,0,0|1,0,2]=4 212 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [0,1,0,0,0,0|1,0,1]=3 213 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,1,0,0,0,0|0,0,1]=2 214 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,0,0,0,0|1,0,1]=3 215 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,1,0,0,0,0|1,0,1]=3 216 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,1,0,0,0,0|0,1,1]=3 217 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,0,0,0,0|1,0,1]=3 218 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,1,0,0,0,0|0,0,1]=2 219 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,0,0,0,0|1,0,1]=3 220 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,1,0,0,0,0|0,1,1]=3 221 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,1,0,0,0,0|2,0,0]=3 222 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,1,0,0,0,0|3,0,0]=4 223 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,1,0,0,0,0|2,0,0]=3 224 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,1,0,0,0,0|3,0,0]=4 226 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,1,0,0,0,0|2,0,0]=3 227 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,1,0,0,0,0|2,0,0]=3 229 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,1,0,0,0,0|2,0,1]=4 232 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,1,0,0,0,0|2,0,1]=4 233 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,1,0,0,0,0|2,0,1]=4 236 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,1,0,0,0,0|3,0,0]=4 238 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,1,0,0,0,0|3,0,0]=4 239 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,1,0,0,0,0|3,0,0]=4 240 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,1,0,0,0,0|3,0,0]=4 242 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,1,0,0,0,0|3,0,0]=4 243 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,1,0,0,0,0|3,0,0]=4 244 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.3 COCOC(C)C#N 85e904d8cb0c25f94e972581402e1470 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,1,0,0,0,0|1,0,1]=3 247 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,1,0,0,0,0|1,0,1]=3 249 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,1,0,0,0,0|1,0,1]=3 251 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [0,1,0,0,0,0|1,1,1]=4 253 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [0,1,0,0,0,0|1,1,1]=4 254 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,1,0,0,0,0|2,0,1]=4 255 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,1,0,0,0,0|2,0,1]=4 257 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,1,0,0,0,0|2,0,1]=4 258 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.3 C[C@H](C=O)OCC#N a51c72275e2be0c3e4b80eaa109e7244 [0,1,0,0,0,0|1,0,2]=4 260 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,1,0,0,0,0|1,0,1]=3 261 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,1,0,0,0,0|1,0,1]=3 262 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [0,1,0,0,0,0|1,1,1]=4 263 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [0,1,0,0,0,0|1,1,1]=4 264 B7R0.3 N#CCNC(=O)CF 22102b1fd1778f1d4d858f860cd4e7f5 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.3 N#CCNC(=O)CO 8dbd9904ced2105da92f338ff81f2cd3 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.3 N#CCNC(=O)CS 86a7da4cf1eaa1e98a4819073113dcc9 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,1,0,0,0,0|2,0,0]=3 268 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,1,0,0,0,0|2,0,0]=3 269 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,1,0,0,0,0|2,0,0]=3 270 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,1,0,0,0,0|2,0,0]=3 271 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,1,0,0,0,0|2,0,0]=3 272 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,1,0,0,0,0|2,0,0]=3 273 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,1,0,0,0,0|2,0,0]=3 274 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,1,0,0,0,0|2,0,0]=3 275 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,1,0,0,0,0|2,0,0]=3 276 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,1,0,0,0,0|2,0,0]=3 277 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,1,0,0,0,0|2,0,0]=3 278 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,1,0,0,0,0|2,0,0]=3 279 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,1,0,0,0,0|2,0,0]=3 280 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,1,0,0,0,0|2,0,0]=3 281 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,1,0,0,0,0|2,0,0]=3 282 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,1,0,0,0,0|2,0,1]=4 284 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,1,0,0,0,0|1,0,1]=3 288 B7R0.4 C#CCCOC(C)C 742a793a3d568179dfa9ddcdeebb6426 [0,1,0,0,0,0|1,0,2]=4 289 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.4 C#CCOCC(=C)C 0bc01d270f03a65c7ca43642aedfcda7 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,1,0,0,0,0|0,0,2]=3 292 B7R0.4 C#CCOCC(=O)N f47bf366ca2d3d6c4b78dcc521793da1 [0,1,0,0,0,0|1,0,2]=4 293 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,1,0,0,0,0|1,0,2]=4 294 B7R0.4 C/C(=C/COCF)/Cl ccb17a4eecc3091faafab504472f0bc7 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.4 C/C(=C/COCF)/I 3c1d6b60b36a518dc432453d68bfeeb4 [0,1,0,0,0,0|3,0,0]=4 296 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [0,1,0,0,0,0|1,0,2]=4 297 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [0,1,0,0,0,0|1,0,2]=4 298 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,1,0,0,0,0|1,0,1]=3 301 B7R0.4 C=C(Br)COCCF cd028c386ab5c9854ed6d44716188962 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.4 C=C(Br)COCCS 2f018ef17191cca522d54112a5eff02e [0,1,0,0,0,0|2,0,1]=4 303 B7R0.4 C=C(Br)COCOC 07b1b57eb717a0955e8242d74555e9c9 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,1,0,0,0,0|2,0,0]=3 306 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,1,0,0,0,0|3,0,0]=4 307 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,1,0,0,0,0|3,0,0]=4 308 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,1,0,0,0,0|2,0,0]=3 309 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,1,0,0,0,0|3,0,0]=4 310 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,1,0,0,0,0|3,0,0]=4 311 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,0,0,0,0|2,0,0]=3 312 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,1,0,0,0,0|3,0,0]=4 313 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,1,0,0,0,0|3,0,0]=4 314 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,1,0,0,0,0|3,0,0]=4 315 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,1,0,0,0,0|3,0,0]=4 316 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,1,0,0,0,0|3,0,0]=4 317 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,1,0,0,0,0|3,0,0]=4 318 B7R0.4 C=C(C)COCC#N 003a80dc4db062561188210b3f291dbe [0,1,0,0,0,0|2,0,1]=4 319 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [0,1,0,0,0,0|2,0,1]=4 320 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,1,0,0,0,0|1,0,0]=2 321 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,1,0,0,0,0|2,0,0]=3 322 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,1,0,0,0,0|2,0,0]=3 323 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,1,0,0,0,0|2,0,0]=3 324 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,1,0,0,0,0|2,0,0]=3 325 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,1,0,0,0,0|2,0,1]=4 326 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,1,0,0,0,0|1,0,1]=3 327 B7R0.4 C=C(Cl)COCCF bfeec13c0fc32fddad28bd44930cedd4 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.4 C=C(Cl)COCCS bed65824f0d2b594a8ec24439f554b14 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.4 C=C(Cl)COCOC e9c971b961a0dc4c5fdf312f58d6132b [0,1,0,0,0,0|2,0,1]=4 330 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,1,0,0,0,0|2,0,1]=4 332 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,1,0,0,0,0|1,0,1]=3 333 B7R0.4 C=C(F)COCCF b7eb1549e162ff12acf84ad5b4d7b85c [0,1,0,0,0,0|2,0,1]=4 334 B7R0.4 C=C(F)COCCS 6f04acbd4df5b3ab276bec02cf9e105d [0,1,0,0,0,0|2,0,1]=4 335 B7R0.4 C=C(F)COCOC 22d1787a226644b1c135149de6654075 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,1,0,0,0,0|1,0,1]=3 338 B7R0.4 C=C(I)COCCF a7f60a4ec955fff2b06cd1137598c7d9 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.4 C=C(I)COCCS 5fc097c1866a8915a26e31c2327c798c [0,1,0,0,0,0|2,0,1]=4 340 B7R0.4 C=C(I)COCOC ab47bd677ec4bd30c526b4cd90bad9b3 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,1,0,0,0,0|1,0,1]=3 343 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [0,1,0,0,0,0|1,0,2]=4 344 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,1,0,0,0,0|1,0,2]=4 345 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [0,1,0,0,0,0|1,0,2]=4 346 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,1,0,0,0,0|0,0,2]=3 347 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,1,0,0,0,0|1,0,2]=4 348 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,1,0,0,0,0|1,0,2]=4 349 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [0,1,0,0,0,0|1,0,1]=3 350 B7R0.4 CC#CCOC(C)C 6e8db9745cabe9183b9bff9444d41366 [0,1,0,0,0,0|1,0,2]=4 351 B7R0.4 CC(=CCNCF)C 3984891f07cfe78b7ee7bd273d4f999d [0,1,0,0,0,0|3,0,0]=4 352 B7R0.4 CC(=CCNCO)C cd77ec809019dfe355bce493304b24df [0,1,0,0,0,0|3,0,0]=4 353 B7R0.4 CC(=CCOCF)C c25b592aef4d9f50b5494c475de951b8 [0,1,0,0,0,0|3,0,0]=4 354 B7R0.4 CC(=CCOCF)I ba2122f4ea4634e790cdf077ca544e33 [0,1,0,0,0,0|3,0,0]=4 355 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [0,1,0,0,0,0|2,0,1]=4 356 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,1,0,0,0,0|2,0,0]=3 357 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,1,0,0,0,0|2,0,1]=4 358 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,1,0,0,0,0|2,0,0]=3 360 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,1,0,0,0,0|2,0,0]=3 361 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,1,0,0,0,0|2,0,0]=3 362 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,1,0,0,0,0|1,0,1]=3 363 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,1,0,0,0,0|1,0,1]=3 364 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,1,0,0,0,0|1,0,0]=2 365 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,1,0,0,0,0|1,0,0]=2 366 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,1,0,0,0,0|1,0,1]=3 367 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,1,0,0,0,0|1,0,0]=2 368 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,1,0,0,0,0|1,0,0]=2 369 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,1,0,0,0,0|2,0,0]=3 370 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,1,0,0,0,0|2,0,0]=3 371 B7R0.4 CC(=O)OCNC#N 09ae158eda2ed3ea4692af8a683aae11 [0,1,0,0,0,0|1,0,1]=3 372 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [0,1,0,0,0,0|2,0,1]=4 373 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [0,1,0,0,0,0|2,0,1]=4 374 B7R0.4 CC(C)NCCCCl 1f7b6a1eb64f799a69aafcb62f78849f [0,1,0,0,0,0|2,0,1]=4 375 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.4 CC(C)OCCC#N fd21c0fde146e79c4d1d9956f568a2be [0,1,0,0,0,0|1,0,2]=4 377 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [0,1,0,0,0,0|1,0,2]=4 378 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [0,1,0,0,0,0|1,0,1]=3 379 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [0,1,0,0,0,0|1,0,1]=3 380 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [0,1,0,0,0,0|2,0,1]=4 381 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [0,1,0,0,0,0|1,1,1]=4 383 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [0,1,0,0,0,0|1,1,1]=4 384 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,1,0,0,0,0|1,0,1]=3 385 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [0,1,0,0,0,0|1,0,2]=4 386 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,1,0,0,0,0|1,0,0]=2 387 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,1,0,0,0,0|1,0,1]=3 389 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,0,0,0,0|1,0,0]=2 390 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,1,0,0,0,0|2,0,0]=3 391 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,0,0,0,0|2,0,0]=3 392 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,1,0,0,0,0|1,0,2]=4 394 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [0,1,0,0,0,0|3,0,0]=4 395 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,1,0,0,0,0|1,0,2]=4 396 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,1,0,0,0,0|1,0,2]=4 397 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,1,0,0,0,0|3,0,0]=4 398 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,0,0,0,0|0,0,0]=1 399 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,1,0,0,0,0|1,0,0]=2 400 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,0,0,0,0|1,0,0]=2 401 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,1,0,0,0,0|1,1,0]=3 402 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,1,0,0,0,0|1,0,1]=3 403 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,1,0,0,0,0|1,0,1]=3 404 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,1,0,0,0,0|0,1,1]=3 405 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [0,1,0,0,0,0|2,0,0]=3 407 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,1,0,0,0,0|2,0,0]=3 408 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,1,0,0,0,0|1,0,1]=3 409 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,1,0,0,0,0|1,0,1]=3 410 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,1,0,0,0,0|2,0,0]=3 411 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [0,1,0,0,0,0|2,0,0]=3 412 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,1,0,0,0,0|2,0,0]=3 413 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,1,0,0,0,0|2,0,0]=3 414 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,1,0,0,0,0|2,1,0]=4 415 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,1,0,0,0,0|1,0,2]=4 417 B7R0.4 CCNCCN(C)C 623f50aa4be9ebc8f28d6a0c3c6ed1a7 [0,1,0,0,0,0|3,0,0]=4 418 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,1,0,0,0,0|2,0,0]=3 419 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,1,0,0,0,0|3,0,0]=4 420 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,1,0,0,0,0|1,0,2]=4 421 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,1,0,0,0,0|1,0,2]=4 422 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [0,1,0,0,0,0|2,0,0]=3 423 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [0,1,0,0,0,0|2,0,0]=3 424 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [0,1,0,0,0,0|2,0,0]=3 425 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [0,1,0,0,0,0|2,0,0]=3 426 B7R0.4 CCOCC=C(Cl)Cl aa420eee9e85e57fd046661e3d34ce27 [0,1,0,0,0,0|3,0,0]=4 427 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,1,0,0,0,0|1,0,0]=2 428 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,1,0,0,0,0|2,0,0]=3 429 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,1,0,0,0,0|2,0,0]=3 430 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,1,0,0,0,0|2,0,1]=4 431 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,1,0,0,0,0|3,0,0]=4 432 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,1,0,0,0,0|2,0,0]=3 433 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,1,0,0,0,0|3,0,0]=4 434 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,1,0,0,0,0|1,0,0]=2 435 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,1,0,0,0,0|2,0,0]=3 436 B7R0.4 CCOCOC(C)C fcb36bcabbd9c702db3bb59956b361ad [0,1,0,0,0,0|1,0,1]=3 437 B7R0.4 CN(C)COCCF 62f55da4c28b5a6853579355e2be444c [0,1,0,0,0,0|3,0,0]=4 438 B7R0.4 CN(C)COCCS a425fbb521a3fbcb18e120f8fcba5ba5 [0,1,0,0,0,0|3,0,0]=4 439 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,1,0,0,0,0|1,0,0]=2 440 B7R0.4 COCCNC(C)C 0e10ac0a5c18c9b5426d9b26a3199f23 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [0,1,0,0,0,0|1,0,1]=3 442 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,1,0,0,0,0|2,0,0]=3 443 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,1,0,0,0,0|3,0,0]=4 444 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,1,0,0,0,0|3,0,0]=4 445 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,1,0,0,0,0|1,0,0]=2 446 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,1,0,0,0,0|2,0,0]=3 447 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,1,0,0,0,0|2,0,0]=3 448 B7R0.4 COCOCC(=S)N ee294cd5168f479d523c3c4651082b74 [0,1,0,0,0,0|2,1,0]=4 449 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [0,1,0,0,0,0|2,0,1]=4 450 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [0,1,0,0,0,0|2,0,1]=4 451 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [0,1,0,0,0,0|1,1,1]=4 452 B7R0.4 COCOCN(C)C 2b73113c43069b14e14fe8858206fc7d [0,1,0,0,0,0|3,0,0]=4 453 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,1,0,0,0,0|3,0,0]=4 454 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.4 COCOC[N+](=O)[O-] 54bbc30812908559dc136bad18aef36a [0,1,0,0,0,0|3,0,0]=4 457 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [0,1,0,0,0,0|3,0,0]=4 458 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,1,0,0,0,0|3,0,0]=4 460 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,1,0,0,0,0|1,0,0]=2 461 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [0,1,0,0,0,0|2,0,1]=4 462 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,1,0,0,0,0|1,0,1]=3 463 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,1,0,0,0,0|2,0,0]=3 464 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,1,0,0,0,0|3,0,0]=4 465 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,1,0,0,0,0|3,0,0]=4 466 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,1,0,0,0,0|1,0,0]=2 467 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,1,0,0,0,0|2,0,0]=3 468 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,1,0,0,0,0|2,0,0]=3 469 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [0,1,0,0,0,0|2,1,0]=4 470 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [0,1,0,0,0,0|2,0,1]=4 471 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [0,1,0,0,0,0|2,0,1]=4 472 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [0,1,0,0,0,0|1,1,1]=4 473 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,1,0,0,0,0|3,0,0]=4 474 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [0,1,0,0,0,0|2,0,1]=4 475 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [0,1,0,0,0,0|2,0,1]=4 476 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [0,1,0,0,0,0|2,0,1]=4 477 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [0,1,0,0,0,0|2,0,1]=4 478 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [0,1,0,0,0,0|2,0,1]=4 480 B7R0.4 N#CCOCC(=O)N 063b71e1d1d2f59285f81ab951f41740 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,1,0,0,0,0|2,0,1]=4 482 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,1,0,0,0,0|3,0,0]=4 483 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,1,0,0,0,0|3,0,0]=4 484 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,1,0,0,0,0|3,0,0]=4 485 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,1,0,0,0,0|3,0,0]=4 486 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,1,0,0,0,0|3,0,0]=4 487 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,1,0,0,0,0|3,0,0]=4 488 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,1,0,0,0,0|3,0,0]=4 489 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,1,0,0,0,0|3,0,0]=4 490 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,1,0,0,0,0|2,0,0]=3 492 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,1,0,0,0,0|2,0,0]=3 493 B7R0.4 NC(=O)NCOCF 223fa95252602925b8cb08f5b19a776e [0,1,0,0,0,0|3,0,0]=4 494 B7R0.4 NC(=S)COCCF 8a5f1604a4177fa750cc685bdfff5a09 [0,1,0,0,0,0|2,1,0]=4 495 B7R0.4 NC(=S)COCCS d0f39cb8cbdd46f7cd10195660ea1028 [0,1,0,0,0,0|2,1,0]=4 496 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,1,0,0,0,0|3,0,0]=4 497 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,1,0,0,0,0|3,0,0]=4 498 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,1,0,0,0,0|3,0,0]=4 501 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,1,0,0,0,0|3,0,0]=4 502 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,1,0,0,0,0|3,0,0]=4 503 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,1,0,0,0,0|3,0,0]=4 504 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,1,0,0,0,0|2,0,0]=3 505 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,1,0,0,0,0|2,0,0]=3 506 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,1,0,0,0,0|2,0,1]=4 507 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [0,1,0,0,0,0|3,0,0]=4 508 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [0,1,0,0,0,0|3,0,0]=4 509 B7R0.4 O=[N+]([O-])COCCF 7f34e8cd8176ba8269c13784fe80127e [0,1,0,0,0,0|3,0,0]=4 510 B7R0.4 O=[N+]([O-])COCCS 3483ea2430a9838c713aea5e4187205b [0,1,0,0,0,0|3,0,0]=4 511 B7R0.5 C#CCN(C)C(=O)C 4c2838202c8d4a7447032fb8e60c10bd [0,1,0,0,0,0|1,0,2]=4 512 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [0,1,0,0,0,0|1,0,2]=4 513 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,1,0,0,0,0|3,0,0]=4 514 B7R0.5 CC(=O)N(C)CC#N cce5ba08a0b5b4e42f2a8adc17c92fd8 [0,1,0,0,0,0|2,0,1]=4 515 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [0,1,0,0,0,0|2,0,0]=3 516 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,1,0,0,0,0|2,0,0]=3 517 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,1,0,0,0,0|1,0,0]=2 518 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [0,1,0,0,0,0|2,0,1]=4 519 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,1,0,0,0,0|3,0,0]=4 520 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,1,0,0,0,0|3,0,0]=4 521 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,1,0,0,0,0|3,0,0]=4 522 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,1,0,0,0,0|3,0,0]=4 523 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,1,0,0,0,0|3,0,0]=4 524 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,1,0,0,0,0|3,0,0]=4 525 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,1,0,0,0,0|3,0,0]=4 526 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,1,0,0,0,0|2,0,0]=3 527 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,1,0,0,0,0|3,0,0]=4 528 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,1,0,0,0,0|3,0,0]=4 529 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,1,0,0,0,0|3,0,0]=4 530 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,1,0,0,0,0|3,0,0]=4 531 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,1,0,0,0,0|3,0,0]=4 533 B7R0.6 C=C(Br)CNC(=O)C c92ce6fe27dbf36b4b4cd43120064bb5 [0,1,0,0,0,0|1,0,2]=4 534 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,1,0,0,0,0|1,0,1]=3 535 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,1,0,0,0,0|3,0,0]=4 536 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,1,0,0,0,0|1,0,2]=4 537 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,1,0,0,0,0|1,0,1]=3 538 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,1,0,0,0,0|2,0,0]=3 539 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,1,0,0,0,0|2,0,0]=3 540 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,1,0,0,0,0|2,0,1]=4 541 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,1,0,0,0,0|1,0,0]=2 542 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,1,0,0,0,0|1,0,0]=2 543 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,1,0,0,0,0|2,0,0]=3 544 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,1,0,0,0,0|1,0,0]=2 545 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,1,0,0,0,0|1,0,0]=2 546 B7R0.6 CC(C)CNC(C)C 196a13ba094adf361c17685c0872f24d [0,1,0,0,0,0|2,0,1]=4 547 B7R0.6 CC(C)COC(C)C 77eecc331fd01778c375925278ff8a8b [0,1,0,0,0,0|1,0,1]=3 548 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,1,0,0,0,0|3,0,0]=4 549 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,1,0,0,0,0|3,0,0]=4 550 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [0,1,0,0,0,0|2,0,1]=4 551 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [0,1,0,0,0,0|2,0,1]=4 552 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,1,0,0,0,0|3,0,0]=4 553 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,1,0,0,0,0|3,0,0]=4 554 B7R0.6 CC(C)OCC(F)F 3a22706a89b0937c0849011a08e51b94 [0,1,0,0,0,0|2,0,1]=4 555 B7R0.6 CC(C)OCN(C)C 10d50f079b7aea6fe97d70fc778c501b [0,1,0,0,0,0|2,0,1]=4 556 B7R0.6 CC(C)OC[C@@H](C)F 20a173ffcc76fe6afc30e0651bd85f9b [0,1,0,0,0,0|1,0,1]=3 557 B7R0.6 CC(C)OC[C@H](C)F 68e099b1d0df355662b96af0ef440aac [0,1,0,0,0,0|1,0,1]=3 558 B7R0.6 CC(F)COC(C)C 0baa8e540b95c92b06f0417877dbd740 [0,1,0,0,0,0|1,0,1]=3 559 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [0,1,0,0,0,0|2,0,1]=4 560 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [0,1,0,0,0,0|1,0,1]=3 561 B7R0.8 CCCNC(C)(C)C 1cb59707d776cfed599d4d0bd4c6e7fe [0,1,0,0,0,0|2,0,1]=4 562 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [0,0,0,1,0,0|2,0,1]=4 563 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,0,0,1,0,0|1,0,1]=3 564 B7R1.7 COCOC1CC1 026a9c25eccde58eb88281f1e9079e4e [0,0,0,1,0,0|2,0,1]=4 565 B7R1.7 CSCOC1CC1 31d94a402b0c255e4d0b0577bbb73612 [0,0,0,1,0,0|2,0,1]=4 566 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [0,0,0,1,0,0|2,0,1]=4 567 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [0,0,0,1,0,0|2,0,1]=4 568 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,0,0,1,0,0|1,0,0]=2 569 B7R1.18 CC(C)N1CCC1 d44ed514bb3d90dbfe71cc985ec56a8b [0,0,0,1,0,0|2,0,1]=4 570 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,0,0,1,0,0|1,0,0]=2 571 B7R1.20 CC(C)NC1CC1 42821cd4935984c3074bdbd29bffeb6b [0,0,0,1,0,0|2,0,1]=4 572 B7R1.20 CC(C)OC1CC1 2ba1c960117d477fcaacedd25b727831 [0,0,0,1,0,0|1,0,1]=3 573 B6R0.1 C#CC(C)OCC 788c44cbb46959d6943b8cac1e896fa7 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [1,1,0,0,0,0|1,0,1]=4 575 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [1,1,0,0,0,0|1,0,1]=4 576 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,1,0,0,0,0|0,0,1]=3 577 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [1,1,0,0,0,0|1,0,1]=4 579 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [1,1,0,0,0,0|1,0,1]=4 580 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,1,0,0,0,0|1,0,0]=3 582 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,1,0,0,0,0|2,0,0]=4 583 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [1,1,0,0,0,0|2,0,0]=4 584 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,1,0,0,0,0|1,0,1]=4 585 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [1,1,0,0,0,0|0,0,1]=3 586 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,1,0,0,0,0|1,0,1]=4 587 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [1,1,0,0,0,0|1,0,1]=4 588 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,1,0,0,0,0|0,1,1]=4 589 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,1,0,0,0,0|1,0,1]=4 590 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,1,0,0,0,0|1,0,1]=4 591 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,1,0,0,0,0|0,1,1]=4 592 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [1,1,0,0,0,0|2,0,0]=4 593 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [1,1,0,0,0,0|2,0,0]=4 594 B6R0.2 CC(C)OC(C)C ca12c9680239690a47d96d71519e9e05 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [1,1,0,0,0,0|0,0,2]=4 598 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [1,1,0,0,0,0|0,0,2]=4 599 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [1,1,0,0,0,0|0,0,2]=4 600 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,1,0,0,0,0|1,0,0]=3 601 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,1,0,0,0,0|1,0,0]=3 603 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [1,1,0,0,0,0|2,0,0]=4 604 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,1,0,0,0,0|1,0,1]=4 605 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,1,0,0,0,0|1,0,1]=4 606 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,1,0,0,0,0|0,0,2]=4 607 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,1,0,0,0,0|0,0,1]=3 609 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [1,1,0,0,0,0|1,0,1]=4 610 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,1,0,0,0,0|1,0,1]=4 611 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,1,0,0,0,0|1,0,1]=4 612 B6R0.6 CC#CCNCC a6f1b76f7ded3d3d75d35a122acc0b8f [1,1,0,0,0,0|1,0,1]=4 613 B6R0.6 CC#CCOCC 150599371f7a5020048fdfb73583470c [1,1,0,0,0,0|0,0,2]=4 614 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,1,0,0,0,0|1,0,0]=3 616 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [1,1,0,0,0,0|2,0,0]=4 617 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [1,1,0,0,0,0|2,0,0]=4 618 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,1,0,0,0,0|1,0,0]=3 619 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [1,1,0,0,0,0|2,0,0]=4 620 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,1,0,0,0,0|1,0,0]=3 621 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,1,0,0,0,0|2,0,0]=4 623 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,1,0,0,0,0|2,0,0]=4 624 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,1,0,0,0,0|0,0,1]=3 625 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,1,0,0,0,0|1,0,0]=3 627 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,1,0,0,0,0|1,0,1]=4 628 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,1,0,0,0,0|1,0,1]=4 629 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,1,0,0,0,0|1,0,1]=4 630 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,1,0,0,0,0|1,0,1]=4 634 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [1,1,0,0,0,0|0,0,2]=4 636 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,1,0,0,0,0|0,0,0]=2 637 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,1,0,0,0,0|0,0,1]=3 638 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,1,0,0,0,0|0,0,1]=3 639 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,1,0,0,0,0|0,0,1]=3 640 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,1,0,0,0,0|0,0,1]=3 641 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,1,0,0,0,0|0,0,1]=3 642 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,1,0,0,0,0|1,0,1]=4 645 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,1,0,0,0,0|2,0,0]=4 647 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,1,0,0,0,0|2,0,0]=4 648 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [1,1,0,0,0,0|0,0,2]=4 649 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,1,0,0,0,0|1,0,0]=3 650 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,1,0,0,0,0|0,0,1]=3 651 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,1,0,0,0,0|0,0,1]=3 652 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,1,0,0,0,0|0,0,1]=3 653 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,1,0,0,0,0|0,0,1]=3 654 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,1,0,0,0,0|1,0,0]=3 655 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [1,1,0,0,0,0|1,0,1]=4 656 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,1,0,0,0,0|1,0,0]=3 657 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [1,1,0,0,0,0|1,0,1]=4 658 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [1,1,0,0,0,0|1,0,1]=4 659 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [1,1,0,0,0,0|1,0,1]=4 660 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [1,1,0,0,0,0|1,0,1]=4 661 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,1,0,0,0,0|1,0,0]=3 662 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [1,1,0,0,0,0|1,0,1]=4 663 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [1,1,0,0,0,0|1,0,1]=4 664 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [1,1,0,0,0,0|1,0,1]=4 665 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [1,1,0,0,0,0|1,0,1]=4 666 B6R0.6 FCCOCCF 834b8c77ba6896712d1d6af7c59dbfbc [1,1,0,0,0,0|1,0,1]=4 667 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [1,1,0,0,0,0|1,0,1]=4 668 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [1,1,0,0,0,0|1,0,1]=4 670 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [1,1,0,0,0,0|1,0,1]=4 671 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [1,1,0,0,0,0|2,0,0]=4 672 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,1,0,0,0,0|2,0,0]=4 673 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,1,0,0,0,0|2,0,0]=4 674 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,1,0,0,0,0|2,0,0]=4 675 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,1,0,0,0,0|2,0,0]=4 676 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,1,0,0,0,0|2,0,0]=4 677 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,1,0,0,0,0|2,0,0]=4 678 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,1,0,0,0,0|1,0,0]=3 679 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,1,0,0,0,0|1,0,0]=3 680 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,1,0,0,0,0|1,0,0]=3 681 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,1,0,0,0,0|1,0,0]=3 682 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [1,1,0,0,0,0|1,0,1]=4 683 B8R0.2 CC(=O)N(C)C(C)CO 954909c32608c887b20279d0f2f3780c [0,2,0,0,0,0|2,0,0]=4 684 B8R0.2 CC(=O)N(C)[C@@H](C)CO 225dc8a4ffcea4cd61a90a38a4080118 [0,2,0,0,0,0|2,0,0]=4 685 B8R0.2 CC(=O)N(C)[C@H](C)CO de33b62e9836c68164793809e4e8e5b1 [0,2,0,0,0,0|2,0,0]=4 686 B8R0.2 CCC(C)N(C)C(=O)C 086f7eb815f719734067083abba6aada [0,2,0,0,0,0|1,0,0]=3 687 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [0,2,0,0,0,0|2,0,0]=4 688 B8R0.2 CCN(C)C(C)C(=O)C b0aebe8e13e2528b49b039e15b578c7c [0,2,0,0,0,0|2,0,0]=4 689 B8R0.5 C=C(C)CN(C)CCC 67a547626d9fe48bc4d555dd9d8ee25d [0,2,0,0,0,0|2,0,0]=4 690 B8R0.5 CC(=O)NC(C)CC#N 4c1eec26fa88af811b86b8c3ab1a2be6 [0,2,0,0,0,0|1,0,1]=4 691 B8R0.5 CC(=O)NC(C)CCO 31015bb8805fb64762d130a6b4b7d734 [0,2,0,0,0,0|1,0,0]=3 692 B8R0.5 CC(=O)N[C@@H](C)CCO 4818866c214b230552dc5531d2d7dacb [0,2,0,0,0,0|1,0,0]=3 693 B8R0.5 CC(=O)N[C@H](C)CCO d4f1175f550aed36e673eb7917598f76 [0,2,0,0,0,0|1,0,0]=3 694 B8R0.5 CC(=O)OC(C)NC#N 7ce6bed850925e5320101ab8e2b6e4e9 [0,2,0,0,0,0|1,0,1]=4 695 B8R0.5 CCCC(=S)OC(C)C 79ff90d7e7d68c5664ea5acd6b8154a5 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,2,0,0,0,0|1,0,0]=3 697 B8R0.5 CCCC(C)OC(C)C af28c67907ad8e9b80a1443e1881a09f [0,2,0,0,0,0|1,0,1]=4 698 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,2,0,0,0,0|2,0,0]=4 699 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,2,0,0,0,0|2,0,0]=4 700 B8R0.5 CCC[C@@H](C)OC(C)C 38af500727caf5ac56759d6ba34645ea [0,2,0,0,0,0|1,0,1]=4 701 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,2,0,0,0,0|1,0,0]=3 702 B8R0.5 CCC[C@H](C)OC(C)C 39fe789680e7206034f6b275f2ba377c [0,2,0,0,0,0|1,0,1]=4 703 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,2,0,0,0,0|2,0,0]=4 704 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,2,0,0,0,0|2,0,0]=4 705 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,2,0,0,0,0|2,0,0]=4 706 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,2,0,0,0,0|2,0,0]=4 707 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,2,0,0,0,0|2,0,0]=4 708 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,2,0,0,0,0|2,0,0]=4 709 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,2,0,0,0,0|2,0,0]=4 710 B8R0.5 COCC(C)NC(=O)C d3030be71efb57415a6640caba792cb5 [0,2,0,0,0,0|1,0,0]=3 711 B8R0.5 COCC(C)OC(C)C 42224fedc69e8b9186e7b6a47072d544 [0,2,0,0,0,0|1,0,1]=4 712 B8R0.5 COC[C@@H](C)NC(=O)C e26de4ebd7327dac480ea010b3a6df2f [0,2,0,0,0,0|1,0,0]=3 713 B8R0.5 COC[C@@H](C)OC(C)C 55e39c13b20d1d01aae9f00d8a695fef [0,2,0,0,0,0|1,0,1]=4 714 B8R0.5 COC[C@H](C)NC(=O)C 4d6a771b34650f584286aeb4b67fe92b [0,2,0,0,0,0|1,0,0]=3 715 B8R0.5 COC[C@H](C)OC(C)C 937e8d4809322b8fa6634d0115399612 [0,2,0,0,0,0|1,0,1]=4 716 B8R0.5 CSCC(C)OC(C)C f21107a5d5a62c97312908cbb5e0f355 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.16 C#CC(CC)OC(C)C fafefd8139325c645cb6f4f774c8e195 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.16 C=CC(CC)OC(C)C 54a2ef8638860ea6d3922727d18450c8 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.16 C=C[C@@H](CO)NC(=O)C aeb66beba94c776e664bf89f304fa11b [0,2,0,0,0,0|2,0,0]=4 720 B8R0.16 CC(=O)NC(CO)CO b933289767d5f896480a48145d3e5dd9 [0,2,0,0,0,0|2,0,0]=4 721 B8R0.16 CCC(C#N)OC(C)C d5d3070054c18a661e03431a5e7ee891 [0,2,0,0,0,0|1,0,1]=4 722 B8R0.16 CCC(C=O)OC(C)C 64971e54da0bc5dd8c61368ff4482427 [0,2,0,0,0,0|1,0,1]=4 723 B8R0.16 CCC(CC)NC(=O)C 4ed89f720f0f05324cf79f8a98baf869 [0,2,0,0,0,0|1,0,0]=3 724 B8R0.16 CCC(CC)OC(C)C 0d36ea4bc357375b974f87de9390eb5f [0,2,0,0,0,0|1,0,1]=4 725 B8R0.16 CCC(CO)NC(=O)C 0fc969f502a685ac3a30dff22859fa62 [0,2,0,0,0,0|1,0,0]=3 726 B8R0.16 CC[C@@H](CO)NC(=O)C ec21a63ea250126e0e8e11da71f403ff [0,2,0,0,0,0|1,0,0]=3 727 B8R0.16 CC[C@H](CO)NC(=O)C 6d8228e87e113704ba8a910f796088e1 [0,2,0,0,0,0|1,0,0]=3 728 B8R0.19 C#CC(=O)NC(C)CC 61d9b7eb83f4ff7eb7086f9d7e1ae285 [0,2,0,0,0,0|1,0,1]=4 729 B8R0.19 C#CC(=O)N[C@@H](C)CC e4430e1df3d27e1f60bfd6ac8cb2107b [0,2,0,0,0,0|1,0,1]=4 730 B8R0.19 C#CC(=O)N[C@H](C)CC 4b809239b5091186dfbcfe36ab818a64 [0,2,0,0,0,0|1,0,1]=4 731 B8R0.19 C#CC(C)OC(C)CC b9bef986cc9d8c659004d98675a4d1f5 [0,2,0,0,0,0|1,0,1]=4 732 B8R0.19 C#CC(C)O[C@@H](C)CC 3b2e6544dbdc017fbd8f867e6cb799c3 [0,2,0,0,0,0|1,0,1]=4 733 B8R0.19 C#CC(C)O[C@H](C)CC ad0a8672b19ce051cb51ddf07f41953f [0,2,0,0,0,0|1,0,1]=4 734 B8R0.19 C#C[C@@H](C)OC(C)CC ed011b380984111e68bb7c50f29ab85d [0,2,0,0,0,0|1,0,1]=4 735 B8R0.19 C#C[C@H](C)OC(C)CC c0ae8827e39795e766edc66cb4bebf31 [0,2,0,0,0,0|1,0,1]=4 736 B8R0.19 C=C(C=O)OC(C)CC c5f7d9036a8fdea0d25979e46bb39add [0,2,0,0,0,0|0,0,1]=3 737 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,2,0,0,0,0|1,0,1]=4 738 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,2,0,0,0,0|1,0,1]=4 739 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.19 C=CC(C)OC(C)CC bc030ee1d54310e4e42e3ca28b627322 [0,2,0,0,0,0|1,0,1]=4 741 B8R0.19 C=CC(C)O[C@@H](C)CC 3c69a31efdac74917d5815feffec4931 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.19 C=CC(C)O[C@H](C)CC 23874840195e0ea82a3608089cd552e1 [0,2,0,0,0,0|1,0,1]=4 743 B8R0.19 C=C[C@H](C)OC(C)CC 8317ad39d31f9c390bbb41cff204bc88 [0,2,0,0,0,0|1,0,1]=4 744 B8R0.19 CC(C=O)OC(C)CF dd1260e813ad128cb1339d09b832705a [0,2,0,0,0,0|1,0,1]=4 745 B8R0.19 CC(C=O)OC(C)CS 773a75b997229db7d6efcc42b9c60d2d [0,2,0,0,0,0|1,0,1]=4 746 B8R0.19 CC(C=O)O[C@H](C)CS db7e1cf4f367eba88f034becbe252a6b [0,2,0,0,0,0|1,0,1]=4 747 B8R0.19 CC(CF)O[C@H](C)C=O dff28bb67fd8d3181563ff4952bada48 [0,2,0,0,0,0|1,0,1]=4 748 B8R0.19 CC(CO)NC(=O)CF ef2266eb5061b2bffbd30285b120264a [0,2,0,0,0,0|2,0,0]=4 749 B8R0.19 CC(CO)NC(=O)CO 36e7f0a9d41f765505ec00dee787948b [0,2,0,0,0,0|2,0,0]=4 750 B8R0.19 CC(CO)NC(=O)CS 4ca68b24b40823bba6f492cc34b6d41b [0,2,0,0,0,0|2,0,0]=4 751 B8R0.19 CC(CS)O[C@H](C)C=O 318a2971080d0243ebb32baf94adf9fb [0,2,0,0,0,0|1,0,1]=4 752 B8R0.19 CCC(=O)CN(C)CC 5ff470863ab78226aff558b26acaa6bb [0,2,0,0,0,0|2,0,0]=4 753 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,2,0,0,0,0|1,0,0]=3 754 B8R0.19 CCC(=O)NC(C)CO 31f73ee0dabaaa5a17015c929f45f2fd [0,2,0,0,0,0|2,0,0]=4 755 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,2,0,0,0,0|1,0,0]=3 756 B8R0.19 CCC(=O)N[C@@H](C)CO a3bcc6db0615cc40ae6703cd20d3dc45 [0,2,0,0,0,0|2,0,0]=4 757 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,2,0,0,0,0|1,0,0]=3 758 B8R0.19 CCC(=O)N[C@H](C)CO 3449d5b097ace6785d86df28155e11e4 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,2,0,0,0,0|1,0,1]=4 760 B8R0.19 CCC(C)NC(=O)CF be99e999222b335d1cb75f36b6d9cd45 [0,2,0,0,0,0|1,0,0]=3 761 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,2,0,0,0,0|1,0,0]=3 762 B8R0.19 CCC(C)NC(=O)CS 2bbecd1472ce4a0c07af9c3693119c31 [0,2,0,0,0,0|1,0,0]=3 763 B8R0.19 CCC(C)NC(C)C=O 610b4a8ffb3807f31c76d2eb3d0b9780 [0,2,0,0,0,0|1,0,1]=4 764 B8R0.19 CCC(C)N[C@H](C)C=O bcb94071dd29361c15a01b7c88596d57 [0,2,0,0,0,0|1,0,1]=4 765 B8R0.19 CCC(C)OC(C)C#N c4b4dc8a9fc96e21a7c29a5151bcab8c [0,2,0,0,0,0|1,0,1]=4 766 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [0,2,0,0,0,0|0,0,1]=3 767 B8R0.19 CCC(C)OC(C)CC 3470543b91d3e4ca0bc1a393ace3b2b7 [0,2,0,0,0,0|1,0,1]=4 768 B8R0.19 CCC(C)OC(C)CF 49125939c81cefb4adc19d8dfa0139ae [0,2,0,0,0,0|1,0,1]=4 769 B8R0.19 CCC(C)OC(C)CS 3de39661c837590ac35f0513edf5ff4f [0,2,0,0,0,0|0,1,1]=4 770 B8R0.19 CCC(C)O[C@@H](C)CC 5b5f6724583f0bba5fdaf3b11471f3c4 [0,2,0,0,0,0|1,0,1]=4 771 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [0,2,0,0,0,0|0,0,1]=3 772 B8R0.19 CCC(C)O[C@H](C)CC 0baa98fec5db8845d4182fe89ad327a5 [0,2,0,0,0,0|1,0,1]=4 773 B8R0.19 CCC(C)O[C@H](C)CS d30039869670687a3f43f613444a1033 [0,2,0,0,0,0|0,1,1]=4 774 B8R0.19 CCC(O)CN(C)C=O a5ca11d122e7bb722666ea345a9e6e66 [0,2,0,0,0,0|2,0,0]=4 775 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,2,0,0,0,0|2,0,0]=4 776 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,2,0,0,0,0|2,0,0]=4 777 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,2,0,0,0,0|2,0,0]=4 778 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,2,0,0,0,0|1,0,1]=4 779 B8R0.19 CC[C@@H](C)NC(=O)CF 972ccf96eab46daa18ae78e952074e33 [0,2,0,0,0,0|1,0,0]=3 780 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,2,0,0,0,0|1,0,0]=3 781 B8R0.19 CC[C@@H](C)NC(=O)CS 6576ffdd87c3ad0b66c846698b8c9218 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.19 CC[C@@H](C)NC(C)C=O abf2de4d64d8367bf152827fa19c8747 [0,2,0,0,0,0|1,0,1]=4 783 B8R0.19 CC[C@@H](C)N[C@H](C)C=O 3342a1648b9263897ca0c454c43aa5e6 [0,2,0,0,0,0|1,0,1]=4 784 B8R0.19 CC[C@@H](C)OC(C)C#N cba4c225d0d58694636de5a14ca61f8b [0,2,0,0,0,0|1,0,1]=4 785 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [0,2,0,0,0,0|0,0,1]=3 786 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [0,2,0,0,0,0|0,0,1]=3 787 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,2,0,0,0,0|1,0,1]=4 788 B8R0.19 CC[C@H](C)NC(=O)CF 4effc7db6392db0aa027693c9704097d [0,2,0,0,0,0|1,0,0]=3 789 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,2,0,0,0,0|1,0,0]=3 790 B8R0.19 CC[C@H](C)NC(=O)CS 035bd81fae7cc99474ceaac0a841b71d [0,2,0,0,0,0|1,0,0]=3 791 B8R0.19 CC[C@H](C)NC(C)C=O 018c527e97f5ffc308f69037c7d3a009 [0,2,0,0,0,0|1,0,1]=4 792 B8R0.19 CC[C@H](C)N[C@H](C)C=O d64bf9f3a5fe53c581afe2fb82ccfd54 [0,2,0,0,0,0|1,0,1]=4 793 B8R0.19 CC[C@H](C)OC(C)C#N 8ed7e666a29ed266578fa97cdedc6e8c [0,2,0,0,0,0|1,0,1]=4 794 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [0,2,0,0,0,0|0,0,1]=3 795 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [0,2,0,0,0,0|0,0,1]=3 796 B8R0.19 C[C@@H](CO)NC(=O)CF 2c1d0a1ab5fcd3bc348406e1eae8d857 [0,2,0,0,0,0|2,0,0]=4 797 B8R0.19 C[C@@H](CO)NC(=O)CO 4ef5922646eca2409cc0528bbe495536 [0,2,0,0,0,0|2,0,0]=4 798 B8R0.19 C[C@@H](CO)NC(=O)CS ecb25931c5ecf30a1072b0ef0c850951 [0,2,0,0,0,0|2,0,0]=4 799 B8R0.19 C[C@H](C=O)O[C@H](C)CS af72370034f51011307ce75fb53579bd [0,2,0,0,0,0|1,0,1]=4 800 B8R0.19 C[C@H](CO)NC(=O)CF 47adba76c977441bf582f65bebd39947 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.19 C[C@H](CO)NC(=O)CO 02a86c975d92184b3a8afd5bdd788d80 [0,2,0,0,0,0|2,0,0]=4 802 B8R0.19 C[C@H](CO)NC(=O)CS ecf3d50d57e6bb41773d96b1c96ed61c [0,2,0,0,0,0|2,0,0]=4 803 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,2,0,0,0,0|2,0,0]=4 804 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,2,0,0,0,0|1,0,0]=3 805 B8R0.23 CC(=O)N(C)CC(C)O 4e9ef38fdc27d4895833669b87ebf855 [0,2,0,0,0,0|1,0,0]=3 806 B8R0.23 CC(=O)N(C)CC(F)F b0ba98dc396dbab8e5e9f0bdf2b1b2d6 [0,2,0,0,0,0|2,0,0]=4 807 B8R0.23 CC(=O)N(C)C[C@H](C)O 021150eee8136a4b9cf5a9a8729a45c5 [0,2,0,0,0,0|1,0,0]=3 808 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,2,0,0,0,0|1,0,0]=3 809 B8R0.23 CC(=O)NC(C)C(C)O 82d78b22fd9c1b1cb9a6f73c5b23c29f [0,2,0,0,0,0|1,0,0]=3 810 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,2,0,0,0,0|1,0,0]=3 811 B8R0.23 CC(=O)N[C@@H](C)C(F)F 22488b68f94b27687795c9433c1222cc [0,2,0,0,0,0|2,0,0]=4 812 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,2,0,0,0,0|1,0,0]=3 813 B8R0.23 CC(=O)N[C@H](C)C(F)F 39323a7f6823bde98b326479b7aa9573 [0,2,0,0,0,0|2,0,0]=4 814 B8R0.23 CC(C)OC(C)C(C)C f910c97d1e3fc31ceadbec63396d96d4 [0,2,0,0,0,0|1,0,1]=4 815 B8R0.23 CC(C)OC(C)C(C)S c5a4043ec4c85dd966d520e3bdc0abba [0,2,0,0,0,0|1,0,1]=4 816 B8R0.23 CC(C)O[C@@H](C)C(C)C 444255d792edbc9dc89a2ace48652e7b [0,2,0,0,0,0|1,0,1]=4 817 B8R0.23 CC(C)O[C@H](C)C(C)C ee15d6361bb13960f2a62772caaee08e [0,2,0,0,0,0|1,0,1]=4 818 B8R0.34 CC(=O)NC(C)(C)CF a18ff32a5fc0bc819ab72e44d96d3946 [0,2,0,0,0,0|2,0,0]=4 819 B8R0.34 CC(=O)NC(C)(C)CO 79003794ec6500404906022922bddeef [0,2,0,0,0,0|2,0,0]=4 820 B8R0.34 CCC(C)(C)NC(=O)C 840c3fecba24f983e5795d9efa511b8c [0,2,0,0,0,0|1,0,0]=3 821 B8R0.1 C#CCC(=O)NCCBr 4f440cf4aa09e3206cdd4605bcf9c58a [0,2,0,0,0,0|2,0,0]=4 822 B8R0.1 C#CCC(=O)NCCC 02e18d00f6cac127c3ba925ff7cc6fd1 [0,2,0,0,0,0|1,0,0]=3 823 B8R0.1 C#CCC(=O)NCCF 3341dd3a6feefef883ce57321d1fc3ac [0,2,0,0,0,0|2,0,0]=4 824 B8R0.1 C#CCC(=O)NCCI f8d66d321b4bbc9c77f62120eae5ed27 [0,2,0,0,0,0|2,0,0]=4 825 B8R0.1 C#CCC(=O)NCCO 2552cbe45ed2acb76bf35f0ed2d399d1 [0,2,0,0,0,0|2,0,0]=4 826 B8R0.1 C#CCC(=O)NCCS 476873863e83bab04e03ba1c343d1800 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.1 C#CCC(C)OCCC 726b29ef337798823059b3efca55fe70 [0,2,0,0,0,0|1,0,1]=4 828 B8R0.1 C/C=C/C(=O)NCCBr 1a948754dff20d168e9361d04d66258d [0,2,0,0,0,0|2,0,0]=4 829 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,2,0,0,0,0|1,0,0]=3 830 B8R0.1 C/C=C/C(=O)NCCF f849769f8bdb582b93b497aea7baa092 [0,2,0,0,0,0|2,0,0]=4 831 B8R0.1 C/C=C/C(=O)NCCI 52e8106e222480d032713c2c859846aa [0,2,0,0,0,0|2,0,0]=4 832 B8R0.1 C/C=C/C(=O)NCCO a9d7e927df580e87cdbec0136302f443 [0,2,0,0,0,0|2,0,0]=4 833 B8R0.1 C/C=C/C(=O)NCCS 5eb021a8ec06b5b9d6208abe4a08327e [0,2,0,0,0,0|2,0,0]=4 834 B8R0.1 C/C=C/C(C)OCCC 63733f028ee2622e94a5b800971df6ec [0,2,0,0,0,0|1,0,1]=4 835 B8R0.1 C=CCC(=O)NCCBr 88693f23f16092ca5dd266571e10a0e0 [0,2,0,0,0,0|2,0,0]=4 836 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,2,0,0,0,0|1,0,0]=3 837 B8R0.1 C=CCC(=O)NCCF b423ce63ff163e8a3f1e834dcf6b878a [0,2,0,0,0,0|2,0,0]=4 838 B8R0.1 C=CCC(=O)NCCI 3e84a2a94db213ccfed4bfa0a31b248c [0,2,0,0,0,0|2,0,0]=4 839 B8R0.1 C=CCC(=O)NCCO 463fba4a469c234daf13b2d2f72392b1 [0,2,0,0,0,0|2,0,0]=4 840 B8R0.1 C=CCC(=O)NCCS 6f95ca251253e31286d39bbf0aa786fe [0,2,0,0,0,0|2,0,0]=4 841 B8R0.1 C=CCC(C)OCCC a45dcff5acaff24e8a928ffef7da10dd [0,2,0,0,0,0|1,0,1]=4 842 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [0,2,0,0,0,0|1,0,1]=4 843 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [0,2,0,0,0,0|1,0,1]=4 844 B8R0.1 CC#CC(=O)NCCBr 88fb977d43b76e3334f184344ba493ef [0,2,0,0,0,0|2,0,0]=4 845 B8R0.1 CC#CC(=O)NCCC f3929637650271102a5b6c505641e7e8 [0,2,0,0,0,0|1,0,0]=3 846 B8R0.1 CC#CC(=O)NCCF 1227adeb43ec7455199bd22620e5253c [0,2,0,0,0,0|2,0,0]=4 847 B8R0.1 CC#CC(=O)NCCI dbbc6bd9b3b670571c9a53642d339035 [0,2,0,0,0,0|2,0,0]=4 848 B8R0.1 CC#CC(=O)NCCO f885362aa6b004ac92e1add94f791e9e [0,2,0,0,0,0|2,0,0]=4 849 B8R0.1 CC#CC(=O)NCCS 40eb9ceaf9e9d627793690711560ba71 [0,2,0,0,0,0|2,0,0]=4 850 B8R0.1 CC#CC(C)OCCC 113080c97d86d0cb0f205db23466d919 [0,2,0,0,0,0|1,0,1]=4 851 B8R0.1 CC=CC(C)OCCC d62e55aefb4912836b720106d29ce9c5 [0,2,0,0,0,0|1,0,1]=4 852 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [0,2,0,0,0,0|2,0,0]=4 853 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [0,2,0,0,0,0|2,0,0]=4 854 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [0,2,0,0,0,0|2,0,0]=4 855 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,2,0,0,0,0|2,0,0]=4 856 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [0,2,0,0,0,0|2,0,0]=4 857 B8R0.1 CCCC(=S)OCCF 4a3f66968fafe65a13eab591dccc8c9f [0,2,0,0,0,0|1,1,0]=4 858 B8R0.1 CCCC(=S)OCCS 7161c28940ff0dc6e0b2d32d8bc2d5dc [0,2,0,0,0,0|1,1,0]=4 859 B8R0.1 CCCC(=S)OCOC d7c66aa0be93e71a0e10702c93e66ce1 [0,2,0,0,0,0|1,1,0]=4 860 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,2,0,0,0,0|1,1,0]=4 861 B8R0.1 CCCCC(=O)NC#N 2fe7c425eb1622681eebf36d3ea640ff [0,2,0,0,0,0|1,0,1]=4 862 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [0,2,0,0,0,0|1,0,1]=4 863 B8R0.1 CCCCN(C)CC=O 0b9f4b899180868f46e162e3fdd5a057 [0,2,0,0,0,0|2,0,0]=4 864 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [0,2,0,0,0,0|1,0,1]=4 865 B8R0.1 CCCNC(=O)/C=C/Br b1926545c958d5233a97eecf45ef793e [0,2,0,0,0,0|1,0,1]=4 866 B8R0.1 CCCNC(=O)/C=C/Cl 5d162a53ee9ec44c434e097fbf07a78f [0,2,0,0,0,0|1,0,1]=4 867 B8R0.1 CCCNC(=O)/C=C/I 3483980bedd76cbe76739ba0675640bc [0,2,0,0,0,0|1,0,1]=4 868 B8R0.1 CCCNC(=O)/C=C\Br 587063f23ad9d4c3a5d091f654b1750d [0,2,0,0,0,0|1,0,1]=4 869 B8R0.1 CCCNC(=O)/C=C\Cl 80de1f593bb86fc7c7361689ff20ca17 [0,2,0,0,0,0|1,0,1]=4 870 B8R0.1 CCCNC(=O)/C=C\I 30402a319b6c1a883b3206c216549b42 [0,2,0,0,0,0|1,0,1]=4 871 B8R0.1 CCCNC(=O)C#CBr c870aa8bcaa9c74afac7e765262d412d [0,2,0,0,0,0|1,0,1]=4 872 B8R0.1 CCCNC(=O)C=CBr 9a0fc142e13566664539b9eb458de53b [0,2,0,0,0,0|1,0,1]=4 873 B8R0.1 CCCNC(=O)C=CI 68a3e0e9c9707da402b670771198154c [0,2,0,0,0,0|1,0,1]=4 874 B8R0.1 CCCNC(=O)CC#N a35df4e334c2327f92e0bafe31098739 [0,2,0,0,0,0|1,0,0]=3 875 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,2,0,0,0,0|1,0,0]=3 876 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,2,0,0,0,0|1,0,0]=3 877 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,2,0,0,0,0|1,0,0]=3 878 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,2,0,0,0,0|1,0,0]=3 879 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,2,0,0,0,0|1,0,0]=3 880 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,2,0,0,0,0|1,0,0]=3 881 B8R0.1 CCCNC(=O)CON 9840c2139f1e78498e25b8fce4d164d2 [0,2,0,0,0,0|1,0,0]=3 882 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,2,0,0,0,0|1,0,0]=3 883 B8R0.1 CCCNC(=O)NC#N 27ed8603a99c17a3d820a7b56b6ed318 [0,2,0,0,0,0|1,0,1]=4 884 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [0,2,0,0,0,0|0,1,0]=3 885 B8R0.1 CCCOC(C)CC#N 407318eac9e44ed191090c3a4ee1db31 [0,2,0,0,0,0|1,0,1]=4 886 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [0,2,0,0,0,0|1,0,1]=4 887 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,2,0,0,0,0|0,0,2]=4 888 B8R0.1 CCCOC(C)CSC 9f9571e90cf786089b434f3ce024d599 [0,2,0,0,0,0|0,1,1]=4 889 B8R0.1 CCCO[C@@H](C)CC#N e1cc5f2702a0bdb4ec145d80cec246cf [0,2,0,0,0,0|1,0,1]=4 890 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [0,2,0,0,0,0|1,0,1]=4 891 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,2,0,0,0,0|0,0,2]=4 892 B8R0.1 CCCO[C@H](C)CC#N 92b4d59f363ebe9abc712b1a1f2a0233 [0,2,0,0,0,0|1,0,1]=4 893 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [0,2,0,0,0,0|1,0,1]=4 894 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,2,0,0,0,0|0,0,2]=4 895 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,2,0,0,0,0|2,0,0]=4 896 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,2,0,0,0,0|2,0,0]=4 897 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,2,0,0,0,0|2,0,0]=4 898 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,2,0,0,0,0|2,0,0]=4 899 B8R0.1 COCC(=O)NCCBr e1d7efa2beb897f6fe8c723e5fef1d8c [0,2,0,0,0,0|2,0,0]=4 900 B8R0.1 COCC(=O)NCCF 5b27f9df05a07da8459d8e50096ac5ef [0,2,0,0,0,0|2,0,0]=4 901 B8R0.1 COCC(=O)NCCI 555339bd86b0ca69dc4cdec31caa1894 [0,2,0,0,0,0|2,0,0]=4 902 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,2,0,0,0,0|2,0,0]=4 903 B8R0.1 COCC(=O)NCCS 730709bdb2536a5f7519c33efb71b705 [0,2,0,0,0,0|2,0,0]=4 904 B8R0.1 CSCC(=O)NCCBr 98705a0f39eb077061bcbd29b0672e6a [0,2,0,0,0,0|2,0,0]=4 905 B8R0.1 CSCC(=O)NCCF dfda28d66fa36cfb5ce50a1350224197 [0,2,0,0,0,0|2,0,0]=4 906 B8R0.1 CSCC(=O)NCCI 7bfc8d164efaef654c34edd5d1d07835 [0,2,0,0,0,0|2,0,0]=4 907 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,2,0,0,0,0|2,0,0]=4 908 B8R0.1 CSCC(=O)NCCS 0c7243c53eb1aa5322c2775032ee2b33 [0,2,0,0,0,0|2,0,0]=4 909 B8R0.1 N#CCC(=O)NCCBr ad62f176467caad7b89cb9f715b01ba4 [0,2,0,0,0,0|2,0,0]=4 910 B8R0.1 N#CCC(=O)NCCF d2c6af9dd4cb0f6e3a3d2d5222fcc74a [0,2,0,0,0,0|2,0,0]=4 911 B8R0.1 N#CCC(=O)NCCI 52006da7cf9f86f57bb751ce4f17b4c1 [0,2,0,0,0,0|2,0,0]=4 912 B8R0.1 N#CCC(=O)NCCO ebc737fc9565f0412dd7bc9620fd665d [0,2,0,0,0,0|2,0,0]=4 913 B8R0.1 N#CCC(=O)NCCS 9a38bc12ba4791c01f29716cb2165a91 [0,2,0,0,0,0|2,0,0]=4 914 B8R0.1 NOCC(=O)NCCBr c0babb816ff6ad071d50637a90f5b53a [0,2,0,0,0,0|2,0,0]=4 915 B8R0.1 NOCC(=O)NCCF 9e810ff41c2108c50e8d8b1b8bd5f2d7 [0,2,0,0,0,0|2,0,0]=4 916 B8R0.1 NOCC(=O)NCCI 1fcbed4147de39f8976794c95925d11c [0,2,0,0,0,0|2,0,0]=4 917 B8R0.1 NOCC(=O)NCCO fd618ddcd2c6c81b594a362cc110fd22 [0,2,0,0,0,0|2,0,0]=4 918 B8R0.1 NOCC(=O)NCCS 18d27bf78c6e7759f1c46eb3797eeb7e [0,2,0,0,0,0|2,0,0]=4 919 B8R0.1 O=C(CCF)NCCBr 4e6a83a04fff0ae2002d06f5532a71cf [0,2,0,0,0,0|2,0,0]=4 920 B8R0.1 O=C(CCF)NCCF 3ee47b2b4a969933bf6a2b7769d886d8 [0,2,0,0,0,0|2,0,0]=4 921 B8R0.1 O=C(CCF)NCCI 0514d32be9a459d35ff2d3dd8e59c8c1 [0,2,0,0,0,0|2,0,0]=4 922 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [0,2,0,0,0,0|2,0,0]=4 923 B8R0.1 O=C(CCF)NCCS cc499bcf14cc4ef20c4a540fd4249535 [0,2,0,0,0,0|2,0,0]=4 924 B8R0.1 O=C(CCO)NCCBr 0598e39f87524871b714a958e56557af [0,2,0,0,0,0|2,0,0]=4 925 B8R0.1 O=C(CCO)NCCF fc3c58338add0c048e7e192017336dc4 [0,2,0,0,0,0|2,0,0]=4 926 B8R0.1 O=C(CCO)NCCI f4b9eac1b1d1ab1205b4f68c01e683b0 [0,2,0,0,0,0|2,0,0]=4 927 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,2,0,0,0,0|2,0,0]=4 928 B8R0.1 O=C(CCO)NCCS 67e704856b61f7f4ce061f14d041dc6c [0,2,0,0,0,0|2,0,0]=4 929 B8R0.1 O=C(CCS)NCCBr 0eb47b0aecf2287af30d9b3e94e8bc58 [0,2,0,0,0,0|2,0,0]=4 930 B8R0.1 O=C(CCS)NCCF b7e186cad638003cfed1aa574b20f812 [0,2,0,0,0,0|2,0,0]=4 931 B8R0.1 O=C(CCS)NCCI 56f9d8039c6ce5f07f13c307d4e588bf [0,2,0,0,0,0|2,0,0]=4 932 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [0,2,0,0,0,0|2,0,0]=4 933 B8R0.1 O=C(CCS)NCCS a425fac0fa57c463ae17426b0d0c8bcc [0,2,0,0,0,0|2,0,0]=4 934 B8R0.1 O=CCC(=O)NCCBr 8b1b2be7d6ffc84641a1c6691a60af35 [0,2,0,0,0,0|2,0,0]=4 935 B8R0.1 O=CCC(=O)NCCF 4ea801c19e9d5e221b09c0d94e9d22d6 [0,2,0,0,0,0|2,0,0]=4 936 B8R0.1 O=CCC(=O)NCCI 5e46bfbd499e49eb692800cabe7dbb38 [0,2,0,0,0,0|2,0,0]=4 937 B8R0.1 O=CCC(=O)NCCO f600ea136456fb823bf20010f6243059 [0,2,0,0,0,0|2,0,0]=4 938 B8R0.1 O=CCC(=O)NCCS a557fd8735c6b5636e1772043f123e46 [0,2,0,0,0,0|2,0,0]=4 939 B8R0.3 C#CC(=O)N(C)CCC e31f79932e58626d6b59443bb0ca318b [0,2,0,0,0,0|1,0,1]=4 940 B8R0.3 C=CC(=O)N(C)CCC f05c81ec6e4b8b88c210d66f3d63ec26 [0,2,0,0,0,0|1,0,1]=4 941 B8R0.3 CCC(=O)N(C)CCF 318a2530a556961418490c44b6c90fdd [0,2,0,0,0,0|2,0,0]=4 942 B8R0.3 CCC(=O)N(C)CCO e0dd9f4a6beab4473ee465efb09f2b8e [0,2,0,0,0,0|2,0,0]=4 943 B8R0.3 CCCN(C)C(=O)C=O ae9046810fc57b836f1225fb4fa409a0 [0,2,0,0,0,0|1,0,1]=4 944 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,2,0,0,0,0|1,0,0]=3 945 B8R0.3 CCCN(C)C(=O)CF 080c0d4ce746cadf5e3f0d9a56835299 [0,2,0,0,0,0|1,0,0]=3 946 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,2,0,0,0,0|1,0,0]=3 947 B8R0.3 CCCN(C)C(=O)CS bcfb0bbfdb716f32aeb6ae13debe4701 [0,2,0,0,0,0|1,0,0]=3 948 B8R0.3 CCCN(C)C(C)C=O e6473a1a6d02a5e82b6c038acd576da0 [0,2,0,0,0,0|1,0,1]=4 949 B8R0.3 CCCN(C)[C@H](C)C=O 3790552277429781db5f53610a8878f0 [0,2,0,0,0,0|1,0,1]=4 950 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,2,0,0,0,0|2,0,0]=4 951 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,2,0,0,0,0|2,0,0]=4 952 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,2,0,0,0,0|2,0,0]=4 953 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,2,0,0,0,0|2,0,0]=4 954 B8R0.3 CN(CCF)C(=O)CF 35c532d814bbb3a47d3ee2db2b778162 [0,2,0,0,0,0|2,0,0]=4 955 B8R0.3 CN(CCF)C(=O)CO ddf97572daeb555520ada3a08ed124af [0,2,0,0,0,0|2,0,0]=4 956 B8R0.3 CN(CCF)C(=O)CS cb4353eb02a664ba7768514381ab8f5f [0,2,0,0,0,0|2,0,0]=4 957 B8R0.3 CN(CCO)C(=O)CF 8eee296041fdc56c535d63fb7b27b7a2 [0,2,0,0,0,0|2,0,0]=4 958 B8R0.3 CN(CCO)C(=O)CO 8de638bdca0f8ac1cf08b4f0e65806cd [0,2,0,0,0,0|2,0,0]=4 959 B8R0.3 CN(CCO)C(=O)CS 797e71b888991b0f90a9d8c6273c3ef5 [0,2,0,0,0,0|2,0,0]=4 960 B8R0.6 C#C/C(=C/COCC)/C 4ab1bd2abe7358459c967af9735bb0e3 [0,2,0,0,0,0|2,0,0]=4 961 B8R0.6 C#C/C(=C\COCC)/C 7123009ec411a028193e4a6f537a0b69 [0,2,0,0,0,0|2,0,0]=4 962 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,2,0,0,0,0|1,0,1]=4 963 B8R0.6 C#CC(=O)NCCCCl 1e6f7ab06ab7dcf88ea4205ff8340824 [0,2,0,0,0,0|1,0,1]=4 964 B8R0.6 C#CC(=O)NCCCO 12d57d1037b70231cb0862460a64755d [0,2,0,0,0,0|1,0,1]=4 965 B8R0.6 C#CC(=O)NCCOC 27d5f534cf46c1b30aac020f37738689 [0,2,0,0,0,0|1,0,1]=4 966 B8R0.6 C#CC(=O)NCCSC 1d2889159a53b2ae0146f8d2c63c8c49 [0,2,0,0,0,0|1,0,1]=4 967 B8R0.6 C#CC(C)OCCCC 3207897689b41a23a71912b34d0efa66 [0,2,0,0,0,0|1,0,1]=4 968 B8R0.6 C#CC(C)OCCCF e2896aefd4ad3a5ffc533a67a3fdf4d6 [0,2,0,0,0,0|1,0,1]=4 969 B8R0.6 C#CC(C)OCCCS 0b9eda91606a3fe5f471b59fa7488816 [0,2,0,0,0,0|1,0,1]=4 970 B8R0.6 C#CC(C)OCCOC fa8aae509a40f320c397721c4970bb46 [0,2,0,0,0,0|1,0,1]=4 971 B8R0.6 C#CC(C)OCCSC d6b22fe23f522e8f889574142a499004 [0,2,0,0,0,0|1,0,1]=4 972 B8R0.6 C#CC(C)OCOCC e190976f54a9c4b2bc38ceda0b3bf62a [0,2,0,0,0,0|1,0,1]=4 973 B8R0.6 C#CCCNC(=O)CC 675df9b37ab5c9ee6d5c9db4e0b3cee9 [0,2,0,0,0,0|1,0,1]=4 974 B8R0.6 C#CCCNC(=O)CF f661d89f3d3636e8d1212d00c0cb7691 [0,2,0,0,0,0|1,0,1]=4 975 B8R0.6 C#CCCNC(=O)CO 245d05e33dd6d7c5b17cadbb8fcf8809 [0,2,0,0,0,0|1,0,1]=4 976 B8R0.6 C#CCCNC(=O)CS b02d4aacbc2726a1dcd91cf310ea6a30 [0,2,0,0,0,0|1,0,1]=4 977 B8R0.6 C#CCCOC(=C)C=O 7bbe5f8b868bcf5d25b82d24a0865bb6 [0,2,0,0,0,0|0,0,2]=4 978 B8R0.6 C#CCCOC(C)C=O 6d0394650a52cdfe9e130a150fee6f84 [0,2,0,0,0,0|0,0,2]=4 979 B8R0.6 C#CCCO[C@H](C)C=O ba4c2f460be01a31770f9ee439a60bc0 [0,2,0,0,0,0|0,0,2]=4 980 B8R0.6 C#CCOCC(=O)CC 432ed08c7ed6528d6b4d9248e66c13d7 [0,2,0,0,0,0|0,0,2]=4 981 B8R0.6 C#CCOCC(=O)NC c431f788de734fb576e66eb9c43d15bd [0,2,0,0,0,0|0,0,2]=4 982 B8R0.6 C#CCOCC(=O)OC 1936252f7aa08c2478ab6a51c2564247 [0,2,0,0,0,0|0,0,2]=4 983 B8R0.6 C#C[C@@H](C)OCCCC b92639cee7f5ea1462b33c3a3cf2f7d2 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.6 C#C[C@@H](C)OCCCF a5c8dc0a1a0f858d5e53051e76da68c5 [0,2,0,0,0,0|1,0,1]=4 985 B8R0.6 C#C[C@@H](C)OCCCS 55aeb108f1b1a65ddba299717c789811 [0,2,0,0,0,0|1,0,1]=4 986 B8R0.6 C#C[C@@H](C)OCCOC ec8b34c27893dee92f0685da40390e2a [0,2,0,0,0,0|1,0,1]=4 987 B8R0.6 C#C[C@@H](C)OCCSC e50a58f5ccae490d6355478f26a54946 [0,2,0,0,0,0|1,0,1]=4 988 B8R0.6 C#C[C@@H](C)OCOCC 428d8efd5416e816978f20824e5e0617 [0,2,0,0,0,0|1,0,1]=4 989 B8R0.6 C#C[C@H](C)OCCCC a86793577755948db77c64a70ade7d8c [0,2,0,0,0,0|1,0,1]=4 990 B8R0.6 C#C[C@H](C)OCCCF 4a7bf41179e498bee46de124b90070ba [0,2,0,0,0,0|1,0,1]=4 991 B8R0.6 C#C[C@H](C)OCCCS bcb677ec80c9106cdff5fc49c6d2d76a [0,2,0,0,0,0|1,0,1]=4 992 B8R0.6 C#C[C@H](C)OCCOC 619524f2da52c99e02993cfcc58111a1 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.6 C#C[C@H](C)OCCSC 8d841c2dac211e510b6459052038b3d0 [0,2,0,0,0,0|1,0,1]=4 994 B8R0.6 C#C[C@H](C)OCOCC ade5823d3daf5f14fe3066224c40052d [0,2,0,0,0,0|1,0,1]=4 995 B8R0.6 C/C(=C\I)/COCCF aaedfe511b03b2d75723f7815a5761ab [0,2,0,0,0,0|2,0,0]=4 996 B8R0.6 C/C(=C\I)/COCCS fd0d85a5af77b1e241814e3430a409a7 [0,2,0,0,0,0|2,0,0]=4 997 B8R0.6 C/C=C/COC(C)C=O fa131e4f23e9c9657b7f6224894d03d7 [0,2,0,0,0,0|0,0,2]=4 998 B8R0.6 C/C=C/CO[C@H](C)C=O 72678772068428946892afa70dba2cac [0,2,0,0,0,0|0,0,2]=4 999 B8R0.6 C/C=C\COC(C)C=O 0c0befa84e3b57906471d374030127b5 [0,2,0,0,0,0|0,0,2]=4 1000 B8R0.6 C/C=C\CO[C@H](C)C=O 8d26d4e9027cf2c34d2202ac82180bcf [0,2,0,0,0,0|0,0,2]=4 1001 B8R0.6 C=C(C#N)COCCC 2c67684a3c90ed3f20287957e9f99586 [0,2,0,0,0,0|1,0,1]=4 1002 B8R0.6 C=C(C=O)OC/C=C/C 2dcc3110c86a6a555816f9e93568f805 [0,2,0,0,0,0|0,0,2]=4 1003 B8R0.6 C=C(C=O)OC/C=C\C 93550c76437bdb34f8fb27ee7eff4467 [0,2,0,0,0,0|0,0,2]=4 1004 B8R0.6 C=C(C=O)OCCC#N d17d24c9b629b8e58808654f65738b79 [0,2,0,0,0,0|0,0,2]=4 1005 B8R0.6 C=C(C=O)OCCC=O 03e3b0f30dff9e6e201239f7fce37dcd [0,2,0,0,0,0|0,0,2]=4 1006 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,2,0,0,0,0|0,0,1]=3 1007 B8R0.6 C=C(C=O)OCCCF 0eb811d6f95a63d3bfd1c30c0420353a [0,2,0,0,0,0|0,0,1]=3 1008 B8R0.6 C=C(C=O)OCCCS f4c5b5b4eb066d1dde7e640ae8b83d6c [0,2,0,0,0,0|0,0,1]=3 1009 B8R0.6 C=C(C=O)OCCOC 8adae63bd2505248918f320832a88b6d [0,2,0,0,0,0|0,0,1]=3 1010 B8R0.6 C=C(C=O)OCCSC bcf62c6c6fadd7ac5b12dbbe58c89f04 [0,2,0,0,0,0|0,0,1]=3 1011 B8R0.6 C=C(C=O)OCOCC a43dcefe7b49a952ac6bc79bdf8dad34 [0,2,0,0,0,0|0,0,1]=3 1012 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,2,0,0,0,0|2,0,0]=4 1013 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,2,0,0,0,0|1,0,0]=3 1014 B8R0.6 C=C(CC)COCCF e29bcc08014545601ec41df77fd3afb1 [0,2,0,0,0,0|2,0,0]=4 1015 B8R0.6 C=C(CC)COCCS 1954896189fc03c4d7a15c9e17b08731 [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.6 C=C(CC)COCOC 8620d2b3e026d934a9f25c9b8e5eed2b [0,2,0,0,0,0|2,0,0]=4 1017 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [0,2,0,0,0,0|2,0,0]=4 1018 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,2,0,0,0,0|2,0,0]=4 1019 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,2,0,0,0,0|1,0,0]=3 1020 B8R0.6 C=C(COCCF)OC 781881c77dd820871f857506616f3c75 [0,2,0,0,0,0|2,0,0]=4 1021 B8R0.6 C=C(COCCS)OC 4d7d697d0d7ec1ce88163ba6265f360d [0,2,0,0,0,0|2,0,0]=4 1022 B8R0.6 C=C(COCOC)OC ecada7a2d0836d223f9478db3a9a4d4b [0,2,0,0,0,0|2,0,0]=4 1023 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.6 C=CC(=O)NCCCCl b3fefab619db0213f8f1d61d24e52747 [0,2,0,0,0,0|1,0,1]=4 1025 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,2,0,0,0,0|1,0,1]=4 1026 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,2,0,0,0,0|1,0,1]=4 1027 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,2,0,0,0,0|1,0,1]=4 1028 B8R0.6 C=CC(=O)NCOCC a3acdb74bd061db7f0f50fdf176f3404 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.6 C=CC(C)COCCC 44d56174efc54cb83bc77db41ae3625b [0,2,0,0,0,0|1,0,1]=4 1030 B8R0.6 C=CC(C)OCCCC 3812f369847623dc787403ff6cc0c7db [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.6 C=CC(C)OCCCF 391e75342a3a96d48fa172784afc3e86 [0,2,0,0,0,0|1,0,1]=4 1032 B8R0.6 C=CC(C)OCCCS d82bea49057cfbf3bfb207fb972caab6 [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.6 C=CC(C)OCCOC 09d77702067eb13bcf91be584839041e [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.6 C=CC(C)OCOCC b3fe987ebcbd70b56a9292725d5f1628 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,2,0,0,0,0|1,0,1]=4 1037 B8R0.6 C=CCCNC(=O)CF e595841bb3a8b037270fdd22525fb536 [0,2,0,0,0,0|1,0,1]=4 1038 B8R0.6 C=CCCNC(=O)CO 98f6aad136129263a9e12af8510e3e51 [0,2,0,0,0,0|1,0,1]=4 1039 B8R0.6 C=CCCNC(=O)CS 50f27b0b579982ff12be8d4c6808e465 [0,2,0,0,0,0|1,0,1]=4 1040 B8R0.6 C=CCCOC(=C)C=O 83fe4b827a7730c3344cc57574539aea [0,2,0,0,0,0|0,0,2]=4 1041 B8R0.6 C=CCCOC(C)C=O d89bf43d83f4e504ad136803d884ddc7 [0,2,0,0,0,0|0,0,2]=4 1042 B8R0.6 C=CCCO[C@H](C)C=O 37010ca691c058fe96201b55449e1382 [0,2,0,0,0,0|0,0,2]=4 1043 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,2,0,0,0,0|0,0,2]=4 1044 B8R0.6 C=CCOCC(=O)NC 78ae20439406612f9980a44f6c28e411 [0,2,0,0,0,0|0,0,2]=4 1045 B8R0.6 C=CCOCC(=O)OC 4af7941697fe7abf28d3bb985f3618ec [0,2,0,0,0,0|0,0,2]=4 1046 B8R0.6 C=C[C@H](C)OCCCC 6f75a1cf1960988ac4681ce717df1b6f [0,2,0,0,0,0|1,0,1]=4 1047 B8R0.6 C=C[C@H](C)OCCCF f055e825519b792e80e87c473a2174e6 [0,2,0,0,0,0|1,0,1]=4 1048 B8R0.6 C=C[C@H](C)OCCCS c53c343e3514792868d832724fd010d7 [0,2,0,0,0,0|1,0,1]=4 1049 B8R0.6 C=C[C@H](C)OCCOC 10518672c3d1ae8f1a6ef4d9db274776 [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.6 C=C[C@H](C)OCOCC 0e2d8b797005792bb10559c557f6c5b7 [0,2,0,0,0,0|1,0,1]=4 1052 B8R0.6 CC#CCNC(=O)CC 6d9ddda364502c2ffe7bd0b913f40e69 [0,2,0,0,0,0|1,0,1]=4 1053 B8R0.6 CC#CCNC(=O)CO 285f913d5587688230d414cb78c6b0e0 [0,2,0,0,0,0|1,0,1]=4 1054 B8R0.6 CC#CCOC(C)C=O a1880e6a10a5d94c6d9be3fdb203a2c9 [0,2,0,0,0,0|0,0,2]=4 1055 B8R0.6 CC#CCO[C@H](C)C=O 287509814ddaffb6e15fc3724c4670ac [0,2,0,0,0,0|0,0,2]=4 1056 B8R0.6 CC(=CI)COCCF 728c7e596887abfc1054180f8b1cfd49 [0,2,0,0,0,0|2,0,0]=4 1057 B8R0.6 CC(=CI)COCCS 98c5d098eb1a84c1c2d5016efd99b4ff [0,2,0,0,0,0|2,0,0]=4 1058 B8R0.6 CC(C#N)OCCCF 6ad6e48e93ff09975b5eaadd54bed619 [0,2,0,0,0,0|1,0,1]=4 1059 B8R0.6 CC(C#N)OCCCS 2b7f44c4172a7f1902dfcb936edcc75c [0,2,0,0,0,0|1,0,1]=4 1060 B8R0.6 CC(C=O)NCCCCl 0d8db3a83469f62234c1856a431acaf4 [0,2,0,0,0,0|1,0,1]=4 1061 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,2,0,0,0,0|1,0,1]=4 1062 B8R0.6 CC(C=O)OCCC#N 7afeaf47c6151f74950b75e9bb192784 [0,2,0,0,0,0|0,0,2]=4 1063 B8R0.6 CC(C=O)OCCC=O 33ed4daad58f2a66394ebc2ecb1ab8c7 [0,2,0,0,0,0|0,0,2]=4 1064 B8R0.6 CC(C=O)OCCCF 408a8a894fa836110edbe4772bda1c05 [0,2,0,0,0,0|0,0,1]=3 1065 B8R0.6 CC(C=O)OCCCS 1b21635ff592fc3c755d4caa250cdcb4 [0,2,0,0,0,0|0,0,1]=3 1066 B8R0.6 CC(CF)OCCCF 7bc681144cee5fdcb8af09ea221540db [0,2,0,0,0,0|1,0,1]=4 1067 B8R0.6 CC(CF)OCCCS 731986eac7a4ecf3954b02106c3c5b6f [0,2,0,0,0,0|1,0,1]=4 1068 B8R0.6 CC(CS)OCCCF f73b6e9dcd3d11c1d4876dfdd241b129 [0,2,0,0,0,0|0,1,1]=4 1069 B8R0.6 CC(CS)OCCCS 9601cd8454861659e3f09da516f4a23b [0,2,0,0,0,0|0,1,1]=4 1070 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,2,0,0,0,0|1,0,1]=4 1071 B8R0.6 CC=CCNC(=O)CF 0d5f7fd26f945e36e8c6eecf363d8b30 [0,2,0,0,0,0|1,0,1]=4 1072 B8R0.6 CC=CCNC(=O)CO 89f535fd64f7fddf0a20907685f7be1f [0,2,0,0,0,0|1,0,1]=4 1073 B8R0.6 CC=CCNC(=O)CS a2418ca7c15d5fb8667c73be3fb859b5 [0,2,0,0,0,0|1,0,1]=4 1074 B8R0.6 CC=CCOC(C)C=O 3d8a3f728c7148d7fc326eca893206e0 [0,2,0,0,0,0|0,0,2]=4 1075 B8R0.6 CC=CCO[C@H](C)C=O a976498a0880bb231380bbb58cfae4a2 [0,2,0,0,0,0|0,0,2]=4 1076 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,2,0,0,0,0|2,0,0]=4 1077 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,2,0,0,0,0|2,0,0]=4 1078 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,2,0,0,0,0|2,0,0]=4 1079 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,2,0,0,0,0|2,0,0]=4 1080 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,2,0,0,0,0|2,0,0]=4 1081 B8R0.6 CCC(=O)COCC#N df5b26610d1a9f1f635c4ac5e628d5dd [0,2,0,0,0,0|1,0,1]=4 1082 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,2,0,0,0,0|1,0,1]=4 1083 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,2,0,0,0,0|1,0,0]=3 1084 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,2,0,0,0,0|1,0,0]=3 1085 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,2,0,0,0,0|1,0,0]=3 1086 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,2,0,0,0,0|1,0,0]=3 1087 B8R0.6 CCC(=O)NCCC#N 48cc6a86c0c6f5553ba199e61ccae9bf [0,2,0,0,0,0|1,0,1]=4 1088 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,2,0,0,0,0|1,0,0]=3 1089 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,2,0,0,0,0|1,0,0]=3 1090 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,2,0,0,0,0|1,0,0]=3 1091 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,2,0,0,0,0|2,0,0]=4 1092 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,2,0,0,0,0|1,0,0]=3 1093 B8R0.6 CCC(=O)OCNC#N fd730aec60d7749f463ba490eda97d3f [0,2,0,0,0,0|1,0,1]=4 1094 B8R0.6 CCC(C)OCCCF 7608266ccc7b050cb1109bc78c6b6506 [0,2,0,0,0,0|1,0,1]=4 1095 B8R0.6 CCC(C)OCCCS 59569899c7c7ea5a22586613c30dc74b [0,2,0,0,0,0|1,0,1]=4 1096 B8R0.6 CCC(C)OCCOC 0f412b4c400bcc343476480e66445e27 [0,2,0,0,0,0|1,0,1]=4 1097 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [0,2,0,0,0,0|1,0,1]=4 1098 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,2,0,0,0,0|2,0,0]=4 1099 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,2,0,0,0,0|1,0,1]=4 1100 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,2,0,0,0,0|1,0,0]=3 1101 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,2,0,0,0,0|1,0,0]=3 1102 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,2,0,0,0,0|1,0,0]=3 1103 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,2,0,0,0,0|1,0,0]=3 1104 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,2,0,0,0,0|1,0,1]=4 1105 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.6 CCCCOC(C)C#N 7da6308c22e0ffbd26076a61b450c9cf [0,2,0,0,0,0|1,0,1]=4 1107 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,2,0,0,0,0|0,0,1]=3 1108 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [0,2,0,0,0,0|1,0,1]=4 1109 B8R0.6 CCCCOC(C)CF a8ece2c1a6b1bbd17ac97ecec5d3d5f9 [0,2,0,0,0,0|1,0,1]=4 1110 B8R0.6 CCCCOC(C)CS ae59cde7367219dda072a597238ebf81 [0,2,0,0,0,0|0,1,1]=4 1111 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [0,2,0,0,0,0|1,0,1]=4 1112 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,2,0,0,0,0|0,0,1]=3 1113 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [0,2,0,0,0,0|1,0,1]=4 1114 B8R0.6 CCCCO[C@H](C)CS 4909bf9ebce22969b4138fac2a65fc31 [0,2,0,0,0,0|0,1,1]=4 1115 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,2,0,0,0,0|1,0,0]=3 1116 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,2,0,0,0,0|1,0,0]=3 1117 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,2,0,0,0,0|1,0,0]=3 1118 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,2,0,0,0,0|2,0,0]=4 1119 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,2,0,0,0,0|1,0,0]=3 1120 B8R0.6 CCCOC/C(=C/Cl)/Cl a465139a0b7ab6d0987e779c3247a97c [0,2,0,0,0,0|1,0,1]=4 1121 B8R0.6 CCCOC/C(=C/I)/C dc8f9e85d6578ff08977a63eedf944cc [0,2,0,0,0,0|1,0,0]=3 1122 B8R0.6 CCCOCC(=CI)C b3b55d96dd2a298243d83d73d18b42c8 [0,2,0,0,0,0|1,0,0]=3 1123 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,2,0,0,0,0|0,0,0]=2 1124 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,2,0,0,0,0|0,0,0]=2 1125 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,2,0,0,0,0|0,0,0]=2 1126 B8R0.6 CCCOCC(Br)CBr 9f1724a351782abba439136f5d6e69ae [0,2,0,0,0,0|1,0,1]=4 1127 B8R0.6 CCCOCC(C)C#N 24a74f83c604589c98222d73335a0f81 [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.6 CCCOCC(C)CC 8336a8fc5b3ea2d1a4239fcc430df35e [0,2,0,0,0,0|1,0,1]=4 1129 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,2,0,0,0,0|0,0,2]=4 1130 B8R0.6 CCCOCC(Cl)CCl c7ce8d11365429ed620b78ba0ffd1b9b [0,2,0,0,0,0|1,0,1]=4 1131 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [0,2,0,0,0,0|0,0,2]=4 1132 B8R0.6 CCCOCC(S)CS 813ac28dc006bde4dc5199312c0bbd6f [0,2,0,0,0,0|0,1,1]=4 1133 B8R0.6 CCCOC[C@@H](C)CC c84fe828e09e77472347432e2d809559 [0,2,0,0,0,0|1,0,1]=4 1134 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,2,0,0,0,0|0,0,2]=4 1135 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [0,2,0,0,0,0|0,0,2]=4 1136 B8R0.6 CCCOC[C@H](C)CC a570cde5a141abc9ae194e132ed8fa20 [0,2,0,0,0,0|1,0,1]=4 1137 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,2,0,0,0,0|0,0,2]=4 1138 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [0,2,0,0,0,0|0,0,2]=4 1139 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,2,0,0,0,0|1,0,0]=3 1140 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,2,0,0,0,0|2,0,0]=4 1141 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,2,0,0,0,0|1,0,0]=3 1142 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,2,0,0,0,0|1,0,0]=3 1143 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,2,0,0,0,0|1,0,0]=3 1144 B8R0.6 CCOCCN(C)C=O 150e28d8c1b8a1d219f5e81a871d89a8 [0,2,0,0,0,0|2,0,0]=4 1145 B8R0.6 CCOCOC(C)C=O 5cb78e20849eab5525da894ea8af7e0c [0,2,0,0,0,0|0,0,1]=3 1146 B8R0.6 CC[C@@H](C)OCCCF 7b91ef4d02ffce6366f05b07d4bc01d9 [0,2,0,0,0,0|1,0,1]=4 1147 B8R0.6 CC[C@@H](C)OCCCS 6c6c2f22fccb8037a5b6c2c37163f959 [0,2,0,0,0,0|1,0,1]=4 1148 B8R0.6 CC[C@@H](C)OCCOC db30ac2bff0c750a2289ad4cf8a04d34 [0,2,0,0,0,0|1,0,1]=4 1149 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [0,2,0,0,0,0|1,0,1]=4 1150 B8R0.6 CC[C@H](C)OCCCF b238d2d8b5858677f211108a6f007a3e [0,2,0,0,0,0|1,0,1]=4 1151 B8R0.6 CC[C@H](C)OCCCS a5391396126af079b7e941809a4b6adf [0,2,0,0,0,0|1,0,1]=4 1152 B8R0.6 CC[C@H](C)OCCOC fe75e9412a4cbec1e3be8b753803fef8 [0,2,0,0,0,0|1,0,1]=4 1153 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [0,2,0,0,0,0|1,0,1]=4 1154 B8R0.6 CN(C=O)CCCCO 7f619f7f07602d0a1e936e8e17f35450 [0,2,0,0,0,0|2,0,0]=4 1155 B8R0.6 CNC(=O)CCNCF 7d032297ec7b15962e82d70691941148 [0,2,0,0,0,0|2,0,0]=4 1156 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,2,0,0,0,0|2,0,0]=4 1157 B8R0.6 CNC(=O)CCOCF d44958e5865e9e15b8b4578e30ceba1f [0,2,0,0,0,0|2,0,0]=4 1158 B8R0.6 CNC(=O)CNCCBr 6c7bbb2b8e2277851a9c4b1ee98b855e [0,2,0,0,0,0|2,0,0]=4 1159 B8R0.6 CNC(=O)CNCCF ad7e29831d5186eb0f908b77a11c392c [0,2,0,0,0,0|2,0,0]=4 1160 B8R0.6 CNC(=O)CNCCI e2ceae3c2127a1926854bc9548bd60de [0,2,0,0,0,0|2,0,0]=4 1161 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,2,0,0,0,0|2,0,0]=4 1162 B8R0.6 CNC(=O)CNCCS 910fb23341c3da7d5e154bf7558a8aca [0,2,0,0,0,0|2,0,0]=4 1163 B8R0.6 CNC(=O)CNCOC 8847ec992234bab2b496b10120a2af91 [0,2,0,0,0,0|2,0,0]=4 1164 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,2,0,0,0,0|2,0,0]=4 1165 B8R0.6 CNC(=O)COCC#N b0d1e0c2d2fe987e58b15aa862461a14 [0,2,0,0,0,0|1,0,1]=4 1166 B8R0.6 CNC(=O)COCC=O 8efd894a0631a7157c9af1a4a1868776 [0,2,0,0,0,0|1,0,1]=4 1167 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,2,0,0,0,0|1,0,0]=3 1168 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,2,0,0,0,0|1,0,0]=3 1169 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,2,0,0,0,0|1,0,0]=3 1170 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,2,0,0,0,0|1,0,0]=3 1171 B8R0.6 COC(=O)CCNCF c9ea88c8e4da792c48ff261f6679c953 [0,2,0,0,0,0|2,0,0]=4 1172 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,2,0,0,0,0|2,0,0]=4 1173 B8R0.6 COC(=O)CCOCF 2f015a84e5a71939cec0c0c38276031f [0,2,0,0,0,0|2,0,0]=4 1174 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [0,2,0,0,0,0|2,0,0]=4 1175 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [0,2,0,0,0,0|2,0,0]=4 1176 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [0,2,0,0,0,0|2,0,0]=4 1177 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,2,0,0,0,0|2,0,0]=4 1178 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [0,2,0,0,0,0|2,0,0]=4 1179 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,2,0,0,0,0|2,0,0]=4 1180 B8R0.6 COC(=O)COCC#N d961317c976447afdfd8be4bef3f1d28 [0,2,0,0,0,0|1,0,1]=4 1181 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [0,2,0,0,0,0|1,0,1]=4 1182 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,2,0,0,0,0|1,0,0]=3 1183 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,2,0,0,0,0|1,0,0]=3 1184 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,2,0,0,0,0|1,0,0]=3 1185 B8R0.6 COC(=O)OCNC#N 68a1636c7d8817a5e8ec4b65f17a1204 [0,2,0,0,0,0|1,0,1]=4 1186 B8R0.6 COCCCN(C)C=O 2dd2589e4563c98a7952d017ac8fb720 [0,2,0,0,0,0|2,0,0]=4 1187 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,2,0,0,0,0|1,0,1]=4 1188 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,2,0,0,0,0|1,0,0]=3 1189 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,2,0,0,0,0|1,0,0]=3 1190 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,2,0,0,0,0|1,0,0]=3 1191 B8R0.6 COCCNC(C)C=O b04cbb0a4cdf90a8659326a2cf39eb2e [0,2,0,0,0,0|1,0,1]=4 1192 B8R0.6 COCCN[C@H](C)C=O 07f0113f3333cc700db2bdba012dc811 [0,2,0,0,0,0|1,0,1]=4 1193 B8R0.6 COCCOC(C)C#N 58f40ce652cbda45e0cfc086af074a87 [0,2,0,0,0,0|1,0,1]=4 1194 B8R0.6 COCCOC(C)C=O 2a67c0ff4cec0a7502a789fa42942c5d [0,2,0,0,0,0|0,0,1]=3 1195 B8R0.6 COCCOC(C)CF a2156770e90e7393f057d64d5cc2608d [0,2,0,0,0,0|1,0,1]=4 1196 B8R0.6 COCCOC(C)CS ea4c32bfc0f4d77a145474fd16da19d5 [0,2,0,0,0,0|0,1,1]=4 1197 B8R0.6 COCCO[C@H](C)C=O 0298f0978f907e5e704651f508aa22b0 [0,2,0,0,0,0|0,0,1]=3 1198 B8R0.6 COCCO[C@H](C)CS df8f906fe7e4e6345d305aaf2f4edd82 [0,2,0,0,0,0|0,1,1]=4 1199 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [0,2,0,0,0,0|2,0,0]=4 1200 B8R0.6 COCOC/C(=C/I)/C 9c3a0e5b5fdf8dde2a4fa241cbf61725 [0,2,0,0,0,0|2,0,0]=4 1201 B8R0.6 COCOCC(=CI)C 74f86c9933b6b6c9ca0622257ad69da2 [0,2,0,0,0,0|2,0,0]=4 1202 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,2,0,0,0,0|1,0,0]=3 1203 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,2,0,0,0,0|1,0,1]=4 1204 B8R0.6 CSCCNC(=O)CF 57944584a9e694467df2be000c951ad6 [0,2,0,0,0,0|1,0,0]=3 1205 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,2,0,0,0,0|1,0,0]=3 1206 B8R0.6 CSCCNC(=O)CS 2af34aeed751cd9e812792b0dc7e1060 [0,2,0,0,0,0|1,0,0]=3 1207 B8R0.6 CSCCNC(C)C=O 286c4e550db8cb5119661e7962d8357e [0,2,0,0,0,0|1,0,1]=4 1208 B8R0.6 CSCCN[C@H](C)C=O 768bae1d4934c91a34c8e3922ada33b7 [0,2,0,0,0,0|1,0,1]=4 1209 B8R0.6 CSCCOC(C)C#N c5ba914c2c140691a18365318003996d [0,2,0,0,0,0|1,0,1]=4 1210 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,2,0,0,0,0|0,0,1]=3 1211 B8R0.6 CSCCOC(C)CF cfea21c2c3a8ac30e164d25c20f02c33 [0,2,0,0,0,0|1,0,1]=4 1212 B8R0.6 CSCCOC(C)CS 8386082942f103927006a77e294cb463 [0,2,0,0,0,0|0,1,1]=4 1213 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,2,0,0,0,0|0,0,1]=3 1214 B8R0.6 CSCCO[C@H](C)CS c98ed2c9a664a9fb40a680980ae3c969 [0,2,0,0,0,0|0,1,1]=4 1215 B8R0.6 CSCOC/C(=C/I)/C e9882d9dbe135b55905a235735c7634e [0,2,0,0,0,0|2,0,0]=4 1216 B8R0.6 CSCOCC(=CI)C 582e2560e7d9aae0a93b39559f473897 [0,2,0,0,0,0|2,0,0]=4 1217 B8R0.6 C[C@H](C=O)NCCCCl c9aa0b7b106e210f3da0b2a7b7b494b0 [0,2,0,0,0,0|1,0,1]=4 1218 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,2,0,0,0,0|1,0,1]=4 1219 B8R0.6 C[C@H](C=O)OCCC#N 4acfd2696f9ab4623946b701bc5066cf [0,2,0,0,0,0|0,0,2]=4 1220 B8R0.6 C[C@H](C=O)OCCC=O 87e4ed47a9b86d975af2139f6b104017 [0,2,0,0,0,0|0,0,2]=4 1221 B8R0.6 C[C@H](C=O)OCCCF bdc4dc4cbe2cde044d3c10a313632ac7 [0,2,0,0,0,0|0,0,1]=3 1222 B8R0.6 C[C@H](C=O)OCCCS 9971ffaf5c0c56ccc1660bb6715f0a74 [0,2,0,0,0,0|0,0,1]=3 1223 B8R0.6 C[C@H](CS)OCCCF e2ee96d3276f25df16f3a0724a4ee883 [0,2,0,0,0,0|0,1,1]=4 1224 B8R0.6 C[C@H](CS)OCCCS 990b0ef1b0cf96f2920a685aa0f3736d [0,2,0,0,0,0|0,1,1]=4 1225 B8R0.6 N#CCCNC(=O)CF 2643834fc249ed8abee54c3d144bbf1a [0,2,0,0,0,0|1,0,1]=4 1226 B8R0.6 N#CCCNC(=O)CO 87c406c5bc0dc45a014108f83918aa54 [0,2,0,0,0,0|1,0,1]=4 1227 B8R0.6 N#CCCNC(=O)CS 55e53c6938d3487fe14e760cf3e6c811 [0,2,0,0,0,0|1,0,1]=4 1228 B8R0.6 NOCCNC(=O)CF 46907fa58646111f9869cb76f3fa548d [0,2,0,0,0,0|2,0,0]=4 1229 B8R0.6 NOCCNC(=O)CO d33eb512bcee6c5a14c6336e1dded456 [0,2,0,0,0,0|2,0,0]=4 1230 B8R0.6 NOCCNC(=O)CS 0e95ecc1ba2742311363fa4125fb38fb [0,2,0,0,0,0|2,0,0]=4 1231 B8R0.6 O=C(CF)NCCCCl 934b8e6ee889c80727ea8b7e3cae7f71 [0,2,0,0,0,0|1,0,0]=3 1232 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,2,0,0,0,0|1,0,0]=3 1233 B8R0.6 O=C(CO)CNCCBr 4b4dd4df91e92b925ca40ac918c073a9 [0,2,0,0,0,0|2,0,0]=4 1234 B8R0.6 O=C(CO)CNCCF 9f05edaf4811ba7f9ac498eb6a37ffc4 [0,2,0,0,0,0|2,0,0]=4 1235 B8R0.6 O=C(CO)CNCCI fad7dbe7caa4eb2201e5d92c6c999ddf [0,2,0,0,0,0|2,0,0]=4 1236 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,2,0,0,0,0|2,0,0]=4 1237 B8R0.6 O=C(CO)CNCCS 0b181a826e47050c4e6ba69a8d17fa11 [0,2,0,0,0,0|2,0,0]=4 1238 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,2,0,0,0,0|1,0,0]=3 1239 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,2,0,0,0,0|1,0,0]=3 1240 B8R0.6 O=C(CS)NCCCCl 17654daec75e68e56a406f3209f982cd [0,2,0,0,0,0|1,0,0]=3 1241 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,2,0,0,0,0|1,0,0]=3 1242 B8R0.6 O=CC(=O)NCCCCl 64f1b2357217366e1bf6fcb0b40fa18e [0,2,0,0,0,0|1,0,1]=4 1243 B8R0.6 O=CC(=O)NCCCO c7baf2e22cfdb49043ef0f7982d363e4 [0,2,0,0,0,0|1,0,1]=4 1244 B8R0.8 C#CCCN(C)C(=O)C 3fdf2b9b619b3ddbb35b9c21b779044f [0,2,0,0,0,0|1,0,1]=4 1245 B8R0.8 C#CCOC(C)C(=O)C 92d9c5c0219a15f7e11b9f6ec066d343 [0,2,0,0,0,0|0,0,2]=4 1246 B8R0.8 C=C(Br)C(=O)NCCC 2837c9555b8dd6316a0bf9942b0335eb [0,2,0,0,0,0|1,0,1]=4 1247 B8R0.8 C=C(C)C(=O)NCCBr 61120e26dbeb4e895f737bdf6d4436bb [0,2,0,0,0,0|2,0,0]=4 1248 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,2,0,0,0,0|1,0,0]=3 1249 B8R0.8 C=C(C)C(=O)NCCF 72013eef2585a0c39d2ebbaa6d0c72b9 [0,2,0,0,0,0|2,0,0]=4 1250 B8R0.8 C=C(C)C(=O)NCCI cb5688c5d662b39b7123ac0fec17c67d [0,2,0,0,0,0|2,0,0]=4 1251 B8R0.8 C=C(C)C(=O)NCCO 5937f095d3991cd8f739a66f2a9c04e9 [0,2,0,0,0,0|2,0,0]=4 1252 B8R0.8 C=C(C)C(=O)NCCS 338ac740b4761d63bc015d9cb77d6c81 [0,2,0,0,0,0|2,0,0]=4 1253 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,2,0,0,0,0|2,0,0]=4 1254 B8R0.8 C=C(Cl)C(=O)NCCC 7fabd2186cb29ffd4c2fa87ca91a4c93 [0,2,0,0,0,0|1,0,1]=4 1255 B8R0.8 C=C(F)C(=O)NCCC 94823a38af8f5e8e7e73928fc821ff79 [0,2,0,0,0,0|1,0,1]=4 1256 B8R0.8 C=CCCN(C)C(=O)C 851a28f530c13f40a194c5bcebcd03fc [0,2,0,0,0,0|1,0,1]=4 1257 B8R0.8 C=CCOC(C)C(=O)C 67a80f394e84cf94a6ded2477a1d988b [0,2,0,0,0,0|0,0,2]=4 1258 B8R0.8 CC(=O)C(=O)NCCBr b951238298d8a5693ac2dc119d2a6125 [0,2,0,0,0,0|2,0,0]=4 1259 B8R0.8 CC(=O)C(=O)NCCF f10a316fe81eca6c402987edef00d0b4 [0,2,0,0,0,0|2,0,0]=4 1260 B8R0.8 CC(=O)C(=O)NCCI 49a7fa58657568758ac0aac23ff45607 [0,2,0,0,0,0|2,0,0]=4 1261 B8R0.8 CC(=O)C(=O)NCCO 68aa5fa37dd1955ac40b92420671c9c7 [0,2,0,0,0,0|2,0,0]=4 1262 B8R0.8 CC(=O)C(=O)NCCS 0e86c38b29bd2555c9be005ee65dd41e [0,2,0,0,0,0|2,0,0]=4 1263 B8R0.8 CC(=O)C(C)COCF c45f8ad47bb47acfc61ca43baa4a6417 [0,2,0,0,0,0|2,0,0]=4 1264 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,2,0,0,0,0|2,0,0]=4 1265 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,2,0,0,0,0|2,0,0]=4 1266 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,2,0,0,0,0|2,0,0]=4 1267 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,2,0,0,0,0|2,0,0]=4 1268 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,2,0,0,0,0|2,0,0]=4 1269 B8R0.8 CC(=O)C(C)OCC#N 6ceb6afe72983951abf67fa79d909e5b [0,2,0,0,0,0|1,0,1]=4 1270 B8R0.8 CC(=O)C(C)OCC=O b74e7c61b80a0c717901ca8c420abcfa [0,2,0,0,0,0|1,0,1]=4 1271 B8R0.8 CC(=O)C(C)OCCF 2400feff3997df18334864838c96453f [0,2,0,0,0,0|1,0,0]=3 1272 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,2,0,0,0,0|1,0,0]=3 1273 B8R0.8 CC(=O)N(C)CCC#N 151e9e71ecbd3af558b8b7d0c38784a7 [0,2,0,0,0,0|1,0,1]=4 1274 B8R0.8 CC(=O)N(C)CCCO f1b608083519b3981f39547632d628d0 [0,2,0,0,0,0|1,0,0]=3 1275 B8R0.8 CC(=O)N(C)CCON 0222a89a982d3c098f88961a474eac69 [0,2,0,0,0,0|2,0,0]=4 1276 B8R0.8 CC(F)C(=O)NCCI 8a0369cfed1018ee828f00a2e04759cb [0,2,0,0,0,0|2,0,0]=4 1277 B8R0.8 CC(F)C(=O)NCCO 5714b08de3ce4f90a90b82e533206732 [0,2,0,0,0,0|2,0,0]=4 1278 B8R0.8 CC(F)C(=O)NCCS b39d80e8f07ef9221c0aa27f4f78917f [0,2,0,0,0,0|2,0,0]=4 1279 B8R0.8 CC(O)C(=O)NCCF 91832489eb3405f9b8e768fbbfba918a [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.8 CC(O)C(=O)NCCI 5facf5561b562fe9df389faa15b577b9 [0,2,0,0,0,0|2,0,0]=4 1281 B8R0.8 CC(O)C(=O)NCCO 6eae43744294511500b3285e9523f49e [0,2,0,0,0,0|2,0,0]=4 1282 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,2,0,0,0,0|2,0,0]=4 1283 B8R0.8 CC(OCCF)C(=O)N 05325469e5b636b3a46e12613a8ebafe [0,2,0,0,0,0|1,0,1]=4 1284 B8R0.8 CC(OCCF)C(=O)O 6fd5e9a19867c7867b238e7d51a1feb1 [0,2,0,0,0,0|1,0,1]=4 1285 B8R0.8 CC(OCCS)C(=O)N becba3e4bd5ddd0256495d0b8cb5436f [0,2,0,0,0,0|1,0,1]=4 1286 B8R0.8 CC(OCCS)C(=O)O c6314cdd016da9ce267602a4c2560a24 [0,2,0,0,0,0|1,0,1]=4 1287 B8R0.8 CC(S)C(=O)NCCBr 126071a5e51b1b4d749efb8373eb23f1 [0,2,0,0,0,0|2,0,0]=4 1288 B8R0.8 CC(S)C(=O)NCCF bd1e9d5683d56052e1e5cebd3f28f61a [0,2,0,0,0,0|2,0,0]=4 1289 B8R0.8 CC(S)C(=O)NCCI d038059eeddb4ba2e800fd8c5ef18be5 [0,2,0,0,0,0|2,0,0]=4 1290 B8R0.8 CC(S)C(=O)NCCO 3004d33b884c289d9839660aa24797db [0,2,0,0,0,0|2,0,0]=4 1291 B8R0.8 CC(S)C(=O)NCCS 94de661ebd08e98861fe24c1031e17a2 [0,2,0,0,0,0|2,0,0]=4 1292 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,2,0,0,0,0|1,0,0]=3 1293 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,2,0,0,0,0|1,0,0]=3 1294 B8R0.8 CCCNC(=O)C(=O)N 13b9d7246a4f43d25f7b6094605e09c1 [0,2,0,0,0,0|1,0,1]=4 1295 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,2,0,0,0,0|1,0,0]=3 1296 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,2,0,0,0,0|1,0,0]=3 1297 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,2,0,0,0,0|1,0,0]=3 1298 B8R0.8 CCCNC(=O)C(F)F 071dc3f73dcbda1779f15b4fb1ae3271 [0,2,0,0,0,0|1,0,0]=3 1299 B8R0.8 CCCNC(=O)C(O)O 1935daac569a1d73c1bfec746173b734 [0,2,0,0,0,0|1,0,0]=3 1300 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,2,0,0,0,0|1,0,0]=3 1301 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,2,0,0,0,0|1,0,0]=3 1302 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,2,0,0,0,0|1,0,0]=3 1303 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,2,0,0,0,0|1,0,0]=3 1304 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,2,0,0,0,0|1,0,0]=3 1305 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,2,0,0,0,0|1,0,1]=4 1306 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,2,0,0,0,0|1,0,1]=4 1307 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,2,0,0,0,0|2,0,0]=4 1308 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,2,0,0,0,0|2,0,0]=4 1309 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,2,0,0,0,0|1,0,1]=4 1310 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,2,0,0,0,0|1,0,1]=4 1311 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,2,0,0,0,0|1,0,1]=4 1312 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,2,0,0,0,0|1,0,1]=4 1313 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,2,0,0,0,0|0,0,0]=2 1314 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,2,0,0,0,0|0,0,1]=3 1315 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,2,0,0,0,0|0,0,1]=3 1316 B8R0.8 CCCOC(C)C(C)C 86f84b43e39046a302b7ae55be48399d [0,2,0,0,0,0|1,0,1]=4 1317 B8R0.8 CCCOC(C)C(C)S 2259d80f2d369dc01415bcec83767bc2 [0,2,0,0,0,0|0,1,1]=4 1318 B8R0.8 CCCOC(C)C(F)F 165e4dd3f64552172704afe9815da1fe [0,2,0,0,0,0|1,0,1]=4 1319 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,2,0,0,0,0|1,0,0]=3 1320 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,2,0,0,0,0|0,0,1]=3 1321 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,2,0,0,0,0|0,0,1]=3 1322 B8R0.8 CCCO[C@@H](C)C(C)C 2f41c5c2bb860ee77833a11f23aa4350 [0,2,0,0,0,0|1,0,1]=4 1323 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,2,0,0,0,0|0,0,1]=3 1324 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,2,0,0,0,0|0,0,1]=3 1325 B8R0.8 CCCO[C@H](C)C(C)C 90a86ce0fea165a8278a7b9623fa00c4 [0,2,0,0,0,0|1,0,1]=4 1326 B8R0.8 CCNCC(=O)N(C)C cbb9e14980a25920980b7a9bd2e1ff0d [0,2,0,0,0,0|2,0,0]=4 1327 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,2,0,0,0,0|2,0,0]=4 1328 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [0,2,0,0,0,0|2,0,0]=4 1329 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [0,2,0,0,0,0|2,0,0]=4 1330 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,2,0,0,0,0|2,0,0]=4 1331 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [0,2,0,0,0,0|2,0,0]=4 1332 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,2,0,0,0,0|2,0,0]=4 1333 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [0,2,0,0,0,0|2,0,0]=4 1334 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,2,0,0,0,0|2,0,0]=4 1335 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,2,0,0,0,0|1,0,0]=3 1336 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,2,0,0,0,0|2,0,0]=4 1337 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,2,0,0,0,0|2,0,0]=4 1338 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,2,0,0,0,0|2,0,0]=4 1339 B8R0.8 COCCN(C)C(=O)C 1c56ee19503977f51009b726340315a1 [0,2,0,0,0,0|1,0,0]=3 1340 B8R0.8 COCOC(C)C(=O)C 9af88437e924837e1175779254d8725f [0,2,0,0,0,0|1,0,0]=3 1341 B8R0.8 COCOC(C)C(=O)N 6aefe489f48a65cd7d148c440618ab78 [0,2,0,0,0,0|1,0,1]=4 1342 B8R0.8 COCOC(F)C(=O)N 98a6ca63ec0ae5ce3f5f79ce7b3d2ebf [0,2,0,0,0,0|2,0,0]=4 1343 B8R0.8 COCO[C@@H](C)C(=O)N 49acefa7331c8c6665c0cba142f65a5a [0,2,0,0,0,0|1,0,1]=4 1344 B8R0.8 COCO[C@H](C)C(=O)N 3b246b4b4317637d3b566960fa55f353 [0,2,0,0,0,0|1,0,1]=4 1345 B8R0.8 CSCCN(C)C(=O)C f3dc0247d8f8741adf15cb67ead23b7f [0,2,0,0,0,0|1,0,0]=3 1346 B8R0.8 CSCOC(C)C(=O)C c95aac72a50d87c47012f14e7a8068b2 [0,2,0,0,0,0|1,0,0]=3 1347 B8R0.8 CSCOC(C)C(=O)N 635f1a0e17addb469496239feb26d434 [0,2,0,0,0,0|1,0,1]=4 1348 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,2,0,0,0,0|1,0,1]=4 1349 B8R0.8 CSCO[C@@H](C)C(=O)N d697806df06282cb5644132872e9ee59 [0,2,0,0,0,0|1,0,1]=4 1350 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,2,0,0,0,0|1,0,1]=4 1351 B8R0.8 CSCO[C@H](C)C(=O)N 52e95303bdf45ec980659949a87a26d8 [0,2,0,0,0,0|1,0,1]=4 1352 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,2,0,0,0,0|1,0,1]=4 1353 B8R0.8 C[C@@H](F)C(=O)NCCI 3800b05361fad7ddfa1629fce9d20fa0 [0,2,0,0,0,0|2,0,0]=4 1354 B8R0.8 C[C@@H](F)C(=O)NCCO d7174fc5c801463ae00a56232eff941a [0,2,0,0,0,0|2,0,0]=4 1355 B8R0.8 C[C@@H](F)C(=O)NCCS 749fd7706d0ec6e0daade6c7e1cd3708 [0,2,0,0,0,0|2,0,0]=4 1356 B8R0.8 C[C@@H](O)C(=O)NCCF a16414928601b2d6fce8684097146547 [0,2,0,0,0,0|2,0,0]=4 1357 B8R0.8 C[C@@H](O)C(=O)NCCI 12bd14996ece1fc55d11b04df696dca9 [0,2,0,0,0,0|2,0,0]=4 1358 B8R0.8 C[C@@H](O)C(=O)NCCO 35de042b0d140c54bda91feb1cdb127d [0,2,0,0,0,0|2,0,0]=4 1359 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,2,0,0,0,0|2,0,0]=4 1360 B8R0.8 C[C@@H](OCCF)C(=O)N d40441105176013d30c8b95424c00d97 [0,2,0,0,0,0|1,0,1]=4 1361 B8R0.8 C[C@@H](OCCF)C(=O)O c9253212131f04406411165ed9fada60 [0,2,0,0,0,0|1,0,1]=4 1362 B8R0.8 C[C@@H](OCCS)C(=O)N 88943ada137c1f0b099f509dc8869f73 [0,2,0,0,0,0|1,0,1]=4 1363 B8R0.8 C[C@@H](OCCS)C(=O)O ac3bfc55d41f7a030484bfd593511e60 [0,2,0,0,0,0|1,0,1]=4 1364 B8R0.8 C[C@H](F)C(=O)NCCI 5f656c51ae2dfaf00b4ef9a34c71ecd6 [0,2,0,0,0,0|2,0,0]=4 1365 B8R0.8 C[C@H](F)C(=O)NCCO 3757477e5dbeaeb7bd7368631f26cff2 [0,2,0,0,0,0|2,0,0]=4 1366 B8R0.8 C[C@H](F)C(=O)NCCS 768c95e6a0f1ac131a654b3bd54857ca [0,2,0,0,0,0|2,0,0]=4 1367 B8R0.8 C[C@H](O)C(=O)NCCF 9cb153874861efa121a2a3efd64f7b30 [0,2,0,0,0,0|2,0,0]=4 1368 B8R0.8 C[C@H](O)C(=O)NCCI fb8bee75ecdef23926c8dd96e5a8446c [0,2,0,0,0,0|2,0,0]=4 1369 B8R0.8 C[C@H](O)C(=O)NCCO a8a620bab8ff63cc8d6c82762d26d446 [0,2,0,0,0,0|2,0,0]=4 1370 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,2,0,0,0,0|2,0,0]=4 1371 B8R0.8 C[C@H](OCCF)C(=O)N 4e9bb5644f38dd86d9dd9823a1b49742 [0,2,0,0,0,0|1,0,1]=4 1372 B8R0.8 C[C@H](OCCF)C(=O)O 743b16156cee7adc3f15423098970a5c [0,2,0,0,0,0|1,0,1]=4 1373 B8R0.8 C[C@H](OCCS)C(=O)N b69b46e96c27664eee2ef8d1ebb4d82d [0,2,0,0,0,0|1,0,1]=4 1374 B8R0.8 C[C@H](OCCS)C(=O)O b485ed5c5773edd40292f7e36c453e29 [0,2,0,0,0,0|1,0,1]=4 1375 B8R0.8 NC(=O)C(F)OCCS 5172c9b0bf8c5357fae11cb57618deab [0,2,0,0,0,0|2,0,0]=4 1376 B8R0.8 O=C(NCCBr)C(F)F ff9f837f83676e6e519206328d3862d1 [0,2,0,0,0,0|2,0,0]=4 1377 B8R0.8 O=C(NCCBr)C(O)O 73e8ae7fdf2a88b7b30084be9bc85132 [0,2,0,0,0,0|2,0,0]=4 1378 B8R0.8 O=C(NCCF)C(F)F e1dcbc3162ad69d1b3fe1f582125b4e9 [0,2,0,0,0,0|2,0,0]=4 1379 B8R0.8 O=C(NCCF)C(O)O 89e071c32fd10ed34517a44e130ca45c [0,2,0,0,0,0|2,0,0]=4 1380 B8R0.8 O=C(NCCI)C(F)F c160d9ba6976df8ea765f151f4eadc2e [0,2,0,0,0,0|2,0,0]=4 1381 B8R0.8 O=C(NCCI)C(O)O fc84fbc71836adb80db7b674e8b28a10 [0,2,0,0,0,0|2,0,0]=4 1382 B8R0.8 O=C(NCCO)C(F)F 92d20ef55af2732384d70ce223367ad5 [0,2,0,0,0,0|2,0,0]=4 1383 B8R0.8 O=C(NCCO)C(O)O 98affbb0c0ffe6bee8332b346954c773 [0,2,0,0,0,0|2,0,0]=4 1384 B8R0.8 O=C(NCCS)C(F)F 132bc5b3ebf4157b66fd24b615b8dc0c [0,2,0,0,0,0|2,0,0]=4 1385 B8R0.8 O=C(NCCS)C(O)O 4438ec682b3eb2e23847b4b4cbb5ce72 [0,2,0,0,0,0|2,0,0]=4 1386 B8R0.9 C#CC(=O)NCC(C)C 1b59405d1466ebf3ed688b4fa128ca83 [0,2,0,0,0,0|1,0,1]=4 1387 B8R0.9 C#CC(=O)NCC(C)O d06b1fbbe3bccdb17bbcfe3d455fa3bd [0,2,0,0,0,0|1,0,1]=4 1388 B8R0.9 C#CC(=O)NC[C@@H](C)O 10b3294b5638bea9282cda41b0b922a3 [0,2,0,0,0,0|1,0,1]=4 1389 B8R0.9 C#CC(=O)NC[C@H](C)O 8c9f626c9458795b5c2c126773a4669e [0,2,0,0,0,0|1,0,1]=4 1390 B8R0.9 C#CC(C)NCC(=O)C 2ad4abc709ed22d0c1fc1e2c701880d0 [0,2,0,0,0,0|2,0,0]=4 1391 B8R0.9 C#CC(C)OCC(=O)C 882d251e5156962e635e367fb9e2389a [0,2,0,0,0,0|0,0,2]=4 1392 B8R0.9 C#CC(C)OCC(C)C 4e1770b79e2f61d0e14aeb5599c8e220 [0,2,0,0,0,0|1,0,1]=4 1393 B8R0.9 C#CC(C)OCC(C)F 7ced67796cf3f674d643eedf131ee5b0 [0,2,0,0,0,0|1,0,1]=4 1394 B8R0.9 C#CC(C)OCC(C)S 0f97b229d2fd12f654e2dced62d19f65 [0,2,0,0,0,0|1,0,1]=4 1395 B8R0.9 C#CC(C)OC[C@@H](C)F 48c36f33c76334c9bd57dd63b8129db5 [0,2,0,0,0,0|1,0,1]=4 1396 B8R0.9 C#CC(C)OC[C@H](C)F c9ac8e61ae7f475e3356ef32d1b61753 [0,2,0,0,0,0|1,0,1]=4 1397 B8R0.9 C#C[C@@H](C)OCC(C)C 17261cccf0d6bcb756dde6b084074aff [0,2,0,0,0,0|1,0,1]=4 1398 B8R0.9 C#C[C@H](C)OCC(C)C f2136a220d3845725721b2d249ed75d8 [0,2,0,0,0,0|1,0,1]=4 1399 B8R0.9 C=C(Br)COC(C)CC 49feeff7986d6ae4fb296a8afe6d8ffc [0,2,0,0,0,0|1,0,1]=4 1400 B8R0.9 C=C(Br)CO[C@@H](C)CC 868ef2581d68bb1b094a2fa1f8b58132 [0,2,0,0,0,0|1,0,1]=4 1401 B8R0.9 C=C(Br)CO[C@H](C)CC 896e023f3f172d1a0521ca41c722cbcb [0,2,0,0,0,0|1,0,1]=4 1402 B8R0.9 C=C(C)CCN(C)CC 975bc598c990d4455049b666e0eec143 [0,2,0,0,0,0|2,0,0]=4 1403 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,2,0,0,0,0|1,0,1]=4 1404 B8R0.9 C=C(C)CNC(=O)CF 9e174f36563c098f37022cb2648c32e5 [0,2,0,0,0,0|1,0,1]=4 1405 B8R0.9 C=C(C)CNC(=O)CO ea98526bca8d7363ad41fae75f4ac9a5 [0,2,0,0,0,0|1,0,1]=4 1406 B8R0.9 C=C(C)CNC(=O)CS 497b396057e3c61f5cc6dfafc46145da [0,2,0,0,0,0|1,0,1]=4 1407 B8R0.9 C=C(C)CNC(C)CC 256f62cec490bafed043741999c25df4 [0,2,0,0,0,0|2,0,0]=4 1408 B8R0.9 C=C(C)CN[C@@H](C)CC d26c3d64a9f189169a5866d4e2b497b9 [0,2,0,0,0,0|2,0,0]=4 1409 B8R0.9 C=C(C)CN[C@H](C)CC 63a0b508416fa3ab231e5f743622aa6e [0,2,0,0,0,0|2,0,0]=4 1410 B8R0.9 C=C(C)COC(=C)C=O 0f34183f4535f8f67393cd2e0fb0f88e [0,2,0,0,0,0|0,0,2]=4 1411 B8R0.9 C=C(C)COC(C)C=O 9a3c8d62bdd90bdd5827ca99b4ce4ab3 [0,2,0,0,0,0|0,0,2]=4 1412 B8R0.9 C=C(C)COC(C)CC 4482bd721211f848f89897698cdef93d [0,2,0,0,0,0|1,0,0]=3 1413 B8R0.9 C=C(C)COC(C)CF ba015a797381b5c516846336cd7396a7 [0,2,0,0,0,0|2,0,0]=4 1414 B8R0.9 C=C(C)COC(C)CS b01434085727d0e876ca2f7f806d8f57 [0,2,0,0,0,0|2,0,0]=4 1415 B8R0.9 C=C(C)CO[C@@H](C)CC 1f8fa1d6bc957d679b02c8c39dd68048 [0,2,0,0,0,0|1,0,0]=3 1416 B8R0.9 C=C(C)CO[C@H](C)C=O 9a4354173e487f7f7b1622a2df7e3a75 [0,2,0,0,0,0|0,0,2]=4 1417 B8R0.9 C=C(C)CO[C@H](C)CC 4903f87f8690f044163b36d5c736143f [0,2,0,0,0,0|1,0,0]=3 1418 B8R0.9 C=C(C)CO[C@H](C)CS ddea732e335cb41581925717666dd076 [0,2,0,0,0,0|2,0,0]=4 1419 B8R0.9 C=C(C=O)OCC(C)C c5cdf695798fe36105735778dae3c7a0 [0,2,0,0,0,0|0,0,1]=3 1420 B8R0.9 C=C(C=O)OCC(F)F 73eadecdbdffa258791563c37e170ec8 [0,2,0,0,0,0|1,0,1]=4 1421 B8R0.9 C=C(C=O)OCN(C)C 8f1b31b2204f757194c668fd22936588 [0,2,0,0,0,0|1,0,1]=4 1422 B8R0.9 C=C(CC)COC(C)C 158b3c8f8440057d90f95fd6ad44dfdf [0,2,0,0,0,0|1,0,1]=4 1423 B8R0.9 C=C(Cl)COC(C)CC 683db6dee4558a7fd0cf1ddd08de7466 [0,2,0,0,0,0|1,0,1]=4 1424 B8R0.9 C=C(Cl)CO[C@@H](C)CC f1b2ffe2d8a3606ba8db6452fbde499c [0,2,0,0,0,0|1,0,1]=4 1425 B8R0.9 C=C(Cl)CO[C@H](C)CC e33ef1408b617f755d53e1b85c1dd1a5 [0,2,0,0,0,0|1,0,1]=4 1426 B8R0.9 C=C(I)COC(C)CC 1c02165e4082ec06ba2c7744789ae92c [0,2,0,0,0,0|1,0,1]=4 1427 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,2,0,0,0,0|1,0,1]=4 1428 B8R0.9 C=CC(=O)NCC(C)O fa01455d59425b08f532ebd991dbb1af [0,2,0,0,0,0|1,0,1]=4 1429 B8R0.9 C=CC(=O)NC[C@@H](C)O 60f11a39a2f100903af1f56f3c922ad0 [0,2,0,0,0,0|1,0,1]=4 1430 B8R0.9 C=CC(=O)NC[C@H](C)O c21baab8154cbdc7ba440bfa062d6fdc [0,2,0,0,0,0|1,0,1]=4 1431 B8R0.9 C=CC(C)COC(C)C 19cf5fe9d616c2621a235c9cc79e808d [0,2,0,0,0,0|1,0,1]=4 1432 B8R0.9 C=CC(C)NCC(=O)C b2014bf11d5705e4d318fa019758c231 [0,2,0,0,0,0|2,0,0]=4 1433 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,2,0,0,0,0|0,0,2]=4 1434 B8R0.9 C=CC(C)OCC(C)C 71af5c71e84583a0ab5121668b3ae2e9 [0,2,0,0,0,0|1,0,1]=4 1435 B8R0.9 C=CC(C)OCC(C)F 0042c0a7d8106728b1eea817db903cdd [0,2,0,0,0,0|1,0,1]=4 1436 B8R0.9 C=CC(C)OCC(C)S e29952298d4142c307e95f6fe542e21e [0,2,0,0,0,0|1,0,1]=4 1437 B8R0.9 C=CC(C)OC[C@@H](C)F d2223c8cf7072146d3527eed3a3a161d [0,2,0,0,0,0|1,0,1]=4 1438 B8R0.9 C=CC(C)OC[C@H](C)F 5080369e03b7a37278437f5c44a0145f [0,2,0,0,0,0|1,0,1]=4 1439 B8R0.9 C=CC(O)CNC(=O)C 81607a1da75c9494462df99b512c5607 [0,2,0,0,0,0|1,0,1]=4 1440 B8R0.9 C=C[C@H](C)OCC(C)C 275b6c20fe3580ee4a4871d9838c8c79 [0,2,0,0,0,0|1,0,1]=4 1441 B8R0.9 CC(=O)CNC(=O)CF 51fe56aa9d240d573ecbdb68032eba65 [0,2,0,0,0,0|1,0,1]=4 1442 B8R0.9 CC(=O)CNC(=O)CO d375a24b35361625580ca34c6266f702 [0,2,0,0,0,0|1,0,1]=4 1443 B8R0.9 CC(=O)CNC(=O)CS 5d679f8f3bae9d6c5d53fb6156c809ab [0,2,0,0,0,0|1,0,1]=4 1444 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,2,0,0,0,0|2,0,0]=4 1445 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,2,0,0,0,0|2,0,0]=4 1446 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,2,0,0,0,0|2,0,0]=4 1447 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,2,0,0,0,0|2,0,0]=4 1448 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,2,0,0,0,0|2,0,0]=4 1449 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,2,0,0,0,0|0,0,2]=4 1450 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,2,0,0,0,0|0,0,2]=4 1451 B8R0.9 CC(=O)NCC(Br)CBr 026233203db163de359d5c31f32507c5 [0,2,0,0,0,0|1,0,0]=3 1452 B8R0.9 CC(=O)NCC(C)C#N 70b6e41d7a36e25b863c12e3e2ab9f7c [0,2,0,0,0,0|1,0,0]=3 1453 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,2,0,0,0,0|1,0,0]=3 1454 B8R0.9 CC(=O)NCC(F)CO b8843bcee854bfdd401231e90b011422 [0,2,0,0,0,0|1,0,0]=3 1455 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,2,0,0,0,0|1,0,0]=3 1456 B8R0.9 CC(=O)NC[C@@H](F)CO 964c0a882da1253a8b823c85e90b43d9 [0,2,0,0,0,0|1,0,0]=3 1457 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,2,0,0,0,0|1,0,0]=3 1458 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,2,0,0,0,0|1,0,0]=3 1459 B8R0.9 CC(=O)NC[C@H](F)CO 938a8d1e230afccbf699e7334f08d345 [0,2,0,0,0,0|1,0,0]=3 1460 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,2,0,0,0,0|1,0,0]=3 1461 B8R0.9 CC(C#N)COC(C)C 2586ebb2d77f079fde62eb5fcd3c4e5c [0,2,0,0,0,0|1,0,1]=4 1462 B8R0.9 CC(C#N)OC[C@@H](C)F 454c6507c477ba0cc97f0370f88dfac4 [0,2,0,0,0,0|1,0,1]=4 1463 B8R0.9 CC(C#N)OC[C@H](C)F fdea0d33fec40e676d0c1ad9164796f7 [0,2,0,0,0,0|1,0,1]=4 1464 B8R0.9 CC(C)CCN(C)C=O 516a2a022cb88171d447755eeb173861 [0,2,0,0,0,0|2,0,0]=4 1465 B8R0.9 CC(C)CNC(=O)C=O b40cc57029845c8997b7aa8efc245b60 [0,2,0,0,0,0|1,0,1]=4 1466 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,2,0,0,0,0|1,0,0]=3 1467 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,2,0,0,0,0|1,0,0]=3 1468 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,2,0,0,0,0|1,0,0]=3 1469 B8R0.9 CC(C)CNC(C)C=O 03449348422393b4e0bdd254036a8d58 [0,2,0,0,0,0|1,0,1]=4 1470 B8R0.9 CC(C)CN[C@H](C)C=O 7c782c131d4d366690f182c8ead9a413 [0,2,0,0,0,0|1,0,1]=4 1471 B8R0.9 CC(C)COC(C)C#N 37989be70a7658fa594d9e70d9881daf [0,2,0,0,0,0|1,0,1]=4 1472 B8R0.9 CC(C)COC(C)C=O 0b8c6cf115c2322fa1674f79e1d3c4dd [0,2,0,0,0,0|0,0,1]=3 1473 B8R0.9 CC(C)COC(C)CF 0be8e06678504191ee4b6626cac08c2c [0,2,0,0,0,0|1,0,1]=4 1474 B8R0.9 CC(C)COC(C)CS cb10ee8a511da43c5e6113f578a84515 [0,2,0,0,0,0|0,1,1]=4 1475 B8R0.9 CC(C)CO[C@H](C)C=O 5c45a366049badd5e36b154ae522c338 [0,2,0,0,0,0|0,0,1]=3 1476 B8R0.9 CC(C)CO[C@H](C)CS 7373a4fac1ad6f05f5272187b0df6f4e [0,2,0,0,0,0|0,1,1]=4 1477 B8R0.9 CC(C)OCC(Br)CBr 6d1bf3b075957d7631a5bda8a5b311de [0,2,0,0,0,0|1,0,1]=4 1478 B8R0.9 CC(C)OCC(Cl)CCl 2bba0a1995aba4d0bfb03e3b7feb705a [0,2,0,0,0,0|1,0,1]=4 1479 B8R0.9 CC(C)OCC(O)CO 0e89e061c2e4cf11ff7262059210fdde [0,2,0,0,0,0|1,0,1]=4 1480 B8R0.9 CC(C)OCC(S)CS 0450a00653980b07d552e8842ebfd89b [0,2,0,0,0,0|1,0,1]=4 1481 B8R0.9 CC(C)OC[C@@H](O)CO 3849c2737d80ec90a6ea6c8da3ef06fb [0,2,0,0,0,0|1,0,1]=4 1482 B8R0.9 CC(C)OC[C@H](O)CO 24bdf2b3dd73700f7d482e7b53b23924 [0,2,0,0,0,0|1,0,1]=4 1483 B8R0.9 CC(C=O)NC[C@@H](C)O d6dc2629bd4430c3bd67a8f081c11379 [0,2,0,0,0,0|1,0,1]=4 1484 B8R0.9 CC(C=O)NC[C@H](C)O 7869ad4f3cbe7e38dea9b0d6c90c6141 [0,2,0,0,0,0|1,0,1]=4 1485 B8R0.9 CC(C=O)OCC(F)F c37348c2fe5afc9adc30065e0f96b057 [0,2,0,0,0,0|1,0,1]=4 1486 B8R0.9 CC(C=O)OCN(C)C 4dc03f8644dc120ddbe18940ad718344 [0,2,0,0,0,0|1,0,1]=4 1487 B8R0.9 CC(C=O)OC[C@@H](C)F 44348d98ecea104d30821f34423bd4e0 [0,2,0,0,0,0|0,0,1]=3 1488 B8R0.9 CC(C=O)OC[C@H](C)F 9637178c90bdbe6a1061955c6d3c749b [0,2,0,0,0,0|0,0,1]=3 1489 B8R0.9 CC(CF)OCC(=O)N 85ec4187286fdad5a9553ca5e7cee35f [0,2,0,0,0,0|2,0,0]=4 1490 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,2,0,0,0,0|2,0,0]=4 1491 B8R0.9 CC(CS)OCC(=O)N b11e299a771877421c46b123080a3ea9 [0,2,0,0,0,0|2,0,0]=4 1492 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,2,0,0,0,0|2,0,0]=4 1493 B8R0.9 CC(F)COC(C)C#N 915f57419c6c2693cb55d56f5092a23f [0,2,0,0,0,0|1,0,1]=4 1494 B8R0.9 CC(F)COC(C)C=O a88f9eb602b828f938892defccbfe947 [0,2,0,0,0,0|0,0,1]=3 1495 B8R0.9 CC(F)CO[C@H](C)C=O ab2b879912e041805a15c42eb98ff36e [0,2,0,0,0,0|0,0,1]=3 1496 B8R0.9 CC(O)CCN(C)C=O 32af2d18851b8de7c2fbf9dc298410b8 [0,2,0,0,0,0|2,0,0]=4 1497 B8R0.9 CC(O)CNC(=O)C=O a19c80ebbd3c5b0340f36c5c68b9e508 [0,2,0,0,0,0|1,0,1]=4 1498 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,2,0,0,0,0|1,0,0]=3 1499 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,2,0,0,0,0|1,0,0]=3 1500 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,2,0,0,0,0|1,0,0]=3 1501 B8R0.9 CC(O)CNC(C)C=O 383ad87f47185da30b4a1f76d3fc6516 [0,2,0,0,0,0|1,0,1]=4 1502 B8R0.9 CC(O)CN[C@H](C)C=O 8a0a71f4d2dc211ad7713289d588e2ee [0,2,0,0,0,0|1,0,1]=4 1503 B8R0.9 CC(S)COC(C)C#N 1fd5bdbf8bed52c2452f7a99dc8d5142 [0,2,0,0,0,0|1,0,1]=4 1504 B8R0.9 CC(S)COC(C)C=O 3be1d5c17e9ab7f7a6674fa02b1f8eb9 [0,2,0,0,0,0|0,0,1]=3 1505 B8R0.9 CC(S)CO[C@H](C)C=O 6171e06cfb5a5db48bbba1b7f4375842 [0,2,0,0,0,0|0,0,1]=3 1506 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,2,0,0,0,0|1,0,1]=4 1507 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,2,0,0,0,0|1,0,1]=4 1508 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,2,0,0,0,0|1,0,0]=3 1509 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,2,0,0,0,0|1,0,0]=3 1510 B8R0.9 CCC(=O)NCC(F)F 4cc4f3b720e259ef94d2e9ddeae5379b [0,2,0,0,0,0|2,0,0]=4 1511 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,2,0,0,0,0|1,0,0]=3 1512 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,2,0,0,0,0|1,0,0]=3 1513 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,2,0,0,0,0|1,0,0]=3 1514 B8R0.9 CCC(C)COC(C)C 89140aa94488bac2672b51951396900c [0,2,0,0,0,0|1,0,1]=4 1515 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,2,0,0,0,0|1,0,0]=3 1516 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,2,0,0,0,0|2,0,0]=4 1517 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,2,0,0,0,0|2,0,0]=4 1518 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,2,0,0,0,0|0,0,0]=2 1519 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,2,0,0,0,0|1,0,0]=3 1520 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,2,0,0,0,0|1,0,0]=3 1521 B8R0.9 CCC(C)OCC(=S)N 6b597837cee3e8ac97ffdee12a28c691 [0,2,0,0,0,0|1,1,0]=4 1522 B8R0.9 CCC(C)OCC(C)C 94adce536ef43774d73b8b91df56b54a [0,2,0,0,0,0|1,0,1]=4 1523 B8R0.9 CCC(C)OCC(C)F 86be792ac47322b60f5884dee7e7f674 [0,2,0,0,0,0|1,0,1]=4 1524 B8R0.9 CCC(C)OCC(C)S 5ab58589f526e3be72d839617a185ef8 [0,2,0,0,0,0|0,1,1]=4 1525 B8R0.9 CCC(C)OCN(C)C a7e5fe9e74042b38f34d05eca25d0bbd [0,2,0,0,0,0|2,0,0]=4 1526 B8R0.9 CCC(C)OCS(=O)O 218f2e14527146233901e95c42e5bea0 [0,2,0,0,0,0|2,0,0]=4 1527 B8R0.9 CCC(C)OC[C@@H](C)F 500b158e44a340e901d363fe297442a0 [0,2,0,0,0,0|1,0,1]=4 1528 B8R0.9 CCC(C)OC[C@H](C)F dabe59364c55cabe8959691cbb4cbce5 [0,2,0,0,0,0|1,0,1]=4 1529 B8R0.9 CCC(C)OC[N+](=O)[O-] ce29daa7a1531741c15d172651ff45bc [0,2,0,0,0,0|2,0,0]=4 1530 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,2,0,0,0,0|1,0,0]=3 1531 B8R0.9 CCN(C)C/C=C(/C)\I 945539a0be2d2b92cfa3d742d9a77c1d [0,2,0,0,0,0|2,0,0]=4 1532 B8R0.9 CCN(C)C/C=C(\C)/Cl 5505efc6eb792f0e0e3d3d503392c5e2 [0,2,0,0,0,0|2,0,0]=4 1533 B8R0.9 CCN(C)CC=C(C)C c0858b3ee9aa449ac1738f4ea9e9cac4 [0,2,0,0,0,0|2,0,0]=4 1534 B8R0.9 CCN(C)CC=C(C)Cl 458299661b7d0fc1677eea27dd2b871d [0,2,0,0,0,0|2,0,0]=4 1535 B8R0.9 CCN(C)CC=C(C)I 1af4c35d498622d3ba87dd7d32a0ed2e [0,2,0,0,0,0|2,0,0]=4 1536 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,2,0,0,0,0|1,0,0]=3 1537 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,2,0,0,0,0|2,0,0]=4 1538 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,2,0,0,0,0|2,0,0]=4 1539 B8R0.9 CCN(C)CCS(=O)C 181957332795259e7c2d453ef9f3db35 [0,2,0,0,0,0|2,0,0]=4 1540 B8R0.9 CCN(C)COC(=O)C 662418b9fd851b02bfa0c21ae20e504d [0,2,0,0,0,0|0,0,0]=2 1541 B8R0.9 CCN(C)COC(C)C c76477936d8325c56039131b6365e961 [0,2,0,0,0,0|1,0,1]=4 1542 B8R0.9 CCN(C)CSC(=O)N adc277bb406ecaf954503ab4cdfcb5b9 [0,2,0,0,0,0|1,1,0]=4 1543 B8R0.9 CC[C@@H](C)COC(C)C dc0c1657b56896a2f1684dba0e5f4146 [0,2,0,0,0,0|1,0,1]=4 1544 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,2,0,0,0,0|2,0,0]=4 1545 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,2,0,0,0,0|2,0,0]=4 1546 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,2,0,0,0,0|1,0,0]=3 1547 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,2,0,0,0,0|1,0,0]=3 1548 B8R0.9 CC[C@@H](C)OCC(C)C 555334e47789bc366cc5b9b7c24f502e [0,2,0,0,0,0|1,0,1]=4 1549 B8R0.9 CC[C@@H](C)OCN(C)C 8cb60f33f7a6d9ee1c3ef80f0ce6df60 [0,2,0,0,0,0|2,0,0]=4 1550 B8R0.9 CC[C@@H](C)OC[N+](=O)[O-] 3415ab0ca8c4567cbd4a2ab0de4e9f06 [0,2,0,0,0,0|2,0,0]=4 1551 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,2,0,0,0,0|1,0,0]=3 1552 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,2,0,0,0,0|1,0,0]=3 1553 B8R0.9 CC[C@H](C)COC(C)C 4c1bf27a91b2a1be4e163836e33843e7 [0,2,0,0,0,0|1,0,1]=4 1554 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,2,0,0,0,0|2,0,0]=4 1555 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,2,0,0,0,0|2,0,0]=4 1556 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,2,0,0,0,0|1,0,0]=3 1557 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,2,0,0,0,0|1,0,0]=3 1558 B8R0.9 CC[C@H](C)OCC(C)C 5cf0f20f2e3b8b673a5127012ceee597 [0,2,0,0,0,0|1,0,1]=4 1559 B8R0.9 CC[C@H](C)OCN(C)C 2bfce71e0693bec63b19a91f66cb8392 [0,2,0,0,0,0|2,0,0]=4 1560 B8R0.9 CC[C@H](C)OC[N+](=O)[O-] 877aace2ab2b46fdfe559ad10cf92335 [0,2,0,0,0,0|2,0,0]=4 1561 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [0,2,0,0,0,0|1,0,1]=4 1562 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,2,0,0,0,0|2,0,0]=4 1563 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,2,0,0,0,0|2,0,0]=4 1564 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,2,0,0,0,0|1,0,1]=4 1565 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,2,0,0,0,0|2,0,0]=4 1566 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,2,0,0,0,0|2,0,0]=4 1567 B8R0.9 COC(C)COC(C)C e0f36ed0d37cc72967fbcb31b176fbbc [0,2,0,0,0,0|1,0,1]=4 1568 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,2,0,0,0,0|1,0,0]=3 1569 B8R0.9 CO[C@@H](C)COC(C)C e5a767f401763c27f1a4b5f4477a554e [0,2,0,0,0,0|1,0,1]=4 1570 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,2,0,0,0,0|1,0,0]=3 1571 B8R0.9 CO[C@H](C)COC(C)C c1851bedfec20c17d08aaba18efdab41 [0,2,0,0,0,0|1,0,1]=4 1572 B8R0.9 C[C@@H](O)CNC(=O)C=O 2603ee2d0f069eae7661384f7ee697eb [0,2,0,0,0,0|1,0,1]=4 1573 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,2,0,0,0,0|1,0,0]=3 1574 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,2,0,0,0,0|1,0,0]=3 1575 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,2,0,0,0,0|1,0,0]=3 1576 B8R0.9 C[C@H](C=O)NC[C@@H](C)O e7c9c037399ac257f04fd04c210bf172 [0,2,0,0,0,0|1,0,1]=4 1577 B8R0.9 C[C@H](C=O)OCC(F)F d7ae2ed4d08f5f33943449e6be913c58 [0,2,0,0,0,0|1,0,1]=4 1578 B8R0.9 C[C@H](C=O)OC[C@@H](C)F 1f5893c2e9eac3fefa5fe404e93fe70a [0,2,0,0,0,0|0,0,1]=3 1579 B8R0.9 C[C@H](CS)OCC(=O)N 99b35c1160d6521244a3a6571fb38a94 [0,2,0,0,0,0|2,0,0]=4 1580 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,2,0,0,0,0|2,0,0]=4 1581 B8R0.9 C[C@H](F)CO[C@H](C)C=O 02995616d1e99566d5726c66b80d922d [0,2,0,0,0,0|0,0,1]=3 1582 B8R0.9 C[C@H](O)CNC(=O)C=O 93688556993d21a2fc23a4f3acf54052 [0,2,0,0,0,0|1,0,1]=4 1583 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,2,0,0,0,0|1,0,0]=3 1584 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,2,0,0,0,0|1,0,0]=3 1585 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,2,0,0,0,0|1,0,0]=3 1586 B8R0.9 C[C@H](O)CN[C@H](C)C=O 53b9e59588b92175a902e97408217ade [0,2,0,0,0,0|1,0,1]=4 1587 B8R0.9 O=C(CF)NCC(F)F 6df71b4d47ba0ff822850b62dc2b163e [0,2,0,0,0,0|2,0,0]=4 1588 B8R0.9 O=C(CO)NCC(F)F 7faddb9a1bd570be447e69247bbc7e41 [0,2,0,0,0,0|2,0,0]=4 1589 B8R0.9 O=C(CS)NCC(F)F 555b08482ad3b066c244e7c150a80270 [0,2,0,0,0,0|2,0,0]=4 1590 B8R0.11 C#CC(CC)OCCC ab15fd59c98d539d7d07649312c6ebc3 [0,2,0,0,0,0|1,0,1]=4 1591 B8R0.11 C=CC(CC)OCCC 105fea4587e7e9d452a89f90aa2748e8 [0,2,0,0,0,0|1,0,1]=4 1592 B8R0.11 CCC(C=O)OCCF 6589c03588b79ef923770a2e5281e8cd [0,2,0,0,0,0|1,0,1]=4 1593 B8R0.11 CCC(C=O)OCCS ea764c2bc2338bce8bffce9cca976a1a [0,2,0,0,0,0|1,0,1]=4 1594 B8R0.11 CCC(C=O)OCOC fda93f4e64fa70de9b1ea0e38d5ee013 [0,2,0,0,0,0|1,0,1]=4 1595 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [0,2,0,0,0,0|2,0,0]=4 1596 B8R0.11 CCCNC(C=O)CC 8b5e0e2daf5f0f35115de8e725402fa5 [0,2,0,0,0,0|1,0,1]=4 1597 B8R0.11 CCCOC(C#N)CC 481f0b269a40a36b271d480e84368d21 [0,2,0,0,0,0|1,0,1]=4 1598 B8R0.11 CCCOC(C=O)C=O 07af7786a553a96d7cd2f6465c693e9f [0,2,0,0,0,0|0,0,2]=4 1599 B8R0.11 CCCOC(C=O)CC 5c5bd3caba387b7aed9948606b55ead9 [0,2,0,0,0,0|0,0,1]=3 1600 B8R0.11 CCCOC(CBr)CBr 8f42a0a2ff762223c44688413798baf3 [0,2,0,0,0,0|1,0,1]=4 1601 B8R0.11 CCCOC(CC)CC 148ca867dd0504225a42b1f7b68138cf [0,2,0,0,0,0|1,0,1]=4 1602 B8R0.11 CCCOC(CCl)CBr ecf61037c4d54841098ed2a40da673a1 [0,2,0,0,0,0|1,0,1]=4 1603 B8R0.11 CCCOC(CCl)CCl 321fefa33559ff9eac86a489aa816ddf [0,2,0,0,0,0|1,0,1]=4 1604 B8R0.11 CCCOC(CF)CF 768595f02898aea2ba366d46aeb1e5de [0,2,0,0,0,0|1,0,1]=4 1605 B8R0.11 CCCOC(CO)CO 3fab4738851b0062dfd9d64d8b9970f3 [0,2,0,0,0,0|0,0,2]=4 1606 B8R0.11 CCCO[C@@H](CCl)CI 16cc9486cae3127e81b94a2d558b2118 [0,2,0,0,0,0|1,0,1]=4 1607 B8R0.11 CCCO[C@H](CCl)CI 9ba7db56d39e0beec6c106a3c3da74db [0,2,0,0,0,0|1,0,1]=4 1608 B8R0.7 C#CCCCNC(=O)C 8bbad3dcf674b05cb5f90221808a2bb7 [0,2,0,0,0,0|1,0,0]=3 1609 B8R0.7 C#CCCCOC(C)C c2df5f3e15633977f96051966f9f9505 [0,2,0,0,0,0|1,0,1]=4 1610 B8R0.7 C#CCCNCC(=O)C c4cc756a51afb7be13a15a9a08fcff4c [0,2,0,0,0,0|1,0,1]=4 1611 B8R0.7 C#CCCOCC(=C)C b8286eaf7ef4e000cb19d4bdeec872e8 [0,2,0,0,0,0|1,0,1]=4 1612 B8R0.7 C#CCCOCC(=O)C d40f062f5d5b5dd437467b58ad4478ba [0,2,0,0,0,0|0,0,1]=3 1613 B8R0.7 C#CCCOCC(=O)N 16832b99fecfae9a9433e7f121c1b73e [0,2,0,0,0,0|1,0,1]=4 1614 B8R0.7 C#CCCOCC(=O)O 7b766f5b88fb0ecd599c5abf9efbeabf [0,2,0,0,0,0|1,0,1]=4 1615 B8R0.7 C#CCNCCC(=O)C c404d0087dc2dc93430e30073cbb1872 [0,2,0,0,0,0|1,0,1]=4 1616 B8R0.7 C#CCNCOC(=O)C f4375fd638a73768387f4a3fbdd1fa2e [0,2,0,0,0,0|0,0,1]=3 1617 B8R0.7 C#CCOCCC(=O)C 5d051bea38d55a1d1b77591e946629a4 [0,2,0,0,0,0|0,0,2]=4 1618 B8R0.7 C#CCOCNC(=O)C b44629db1154368e6727a127312fe23a [0,2,0,0,0,0|0,0,2]=4 1619 B8R0.7 C#CCOCOC(=O)C 2a36f4a27a30efed067ae3b0b945a8fd [0,2,0,0,0,0|0,0,1]=3 1620 B8R0.7 C/C(=C/CNCCBr)/I 18f8107b95590dad7547d93a7ba2563a [0,2,0,0,0,0|2,0,0]=4 1621 B8R0.7 C/C(=C/CNCCF)/I adef8d6863a97a82e8bcb8ca33dc1146 [0,2,0,0,0,0|2,0,0]=4 1622 B8R0.7 C/C(=C/CNCCI)/I 29c5603400be7abba13ab5a3903e7e37 [0,2,0,0,0,0|2,0,0]=4 1623 B8R0.7 C/C(=C/CNCCO)/I e7788fa36159fd206e0a3b27854cfd27 [0,2,0,0,0,0|2,0,0]=4 1624 B8R0.7 C/C(=C/CNCCS)/I 7380f5bf3943f354603cc6b9e7c0c449 [0,2,0,0,0,0|2,0,0]=4 1625 B8R0.7 C/C(=C/COCCF)/Cl 45ef213c0104fff90a3f6d28a1f0e29a [0,2,0,0,0,0|2,0,0]=4 1626 B8R0.7 C/C(=C/COCCF)/I 042a42c76f4e8e1fb7b58c4066aedb74 [0,2,0,0,0,0|2,0,0]=4 1627 B8R0.7 C/C(=C/COCCS)/Cl 260d9696b0858bc3abcf7ecf18022758 [0,2,0,0,0,0|2,0,0]=4 1628 B8R0.7 C/C(=C/COCCS)/I d68be6062c7331a08f09e4bb2d37c016 [0,2,0,0,0,0|2,0,0]=4 1629 B8R0.7 C/C(=C\CNCCBr)/Cl ebdca430d41eeec8b906045ebb8f8bf0 [0,2,0,0,0,0|2,0,0]=4 1630 B8R0.7 C/C(=C\CNCCF)/Cl 643bdc27de31d0cb1160342e4adc0c6a [0,2,0,0,0,0|2,0,0]=4 1631 B8R0.7 C/C(=C\CNCCI)/Cl b875f1926be6a8b23df35ffaab96fe7e [0,2,0,0,0,0|2,0,0]=4 1632 B8R0.7 C/C(=C\CNCCO)/Cl 49bb7565d9837c47c95956eb00cdffbb [0,2,0,0,0,0|2,0,0]=4 1633 B8R0.7 C/C(=C\CNCCS)/Cl b03f1ed9a52bb152ee783ec22961c346 [0,2,0,0,0,0|2,0,0]=4 1634 B8R0.7 C/C(=C\COCCF)/Cl aa255d11ff0e6864052934184ef85b5f [0,2,0,0,0,0|2,0,0]=4 1635 B8R0.7 C/C(=C\COCCS)/Cl c5264dc5b9239e0d844a87db9bcb0100 [0,2,0,0,0,0|2,0,0]=4 1636 B8R0.7 C/C=C/CCOC(C)C 57859a6e8a4f2b42a112ca30c6eb34ea [0,2,0,0,0,0|1,0,1]=4 1637 B8R0.7 C/C=C/CNCC(=O)C d08365ea544d9b1f5f738627bd1655a4 [0,2,0,0,0,0|1,0,1]=4 1638 B8R0.7 C/C=C/COCC(=O)C 8704cfa8ea1b508d264e8fc5e5c29d85 [0,2,0,0,0,0|0,0,1]=3 1639 B8R0.7 C/C=C/COCC(=O)N 5a789f9788fb0b39c2772356abc11d01 [0,2,0,0,0,0|1,0,1]=4 1640 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,2,0,0,0,0|1,0,1]=4 1641 B8R0.7 C/C=C\CNCC(=O)C 6a6c9d418c0891c2fa3bf4c597c04764 [0,2,0,0,0,0|1,0,1]=4 1642 B8R0.7 C/C=C\COCC(=O)C 2779d7a42d72df0b04bf874f0b76bd29 [0,2,0,0,0,0|0,0,1]=3 1643 B8R0.7 C/C=C\COCC(=O)N 946717a3036575b064e54b5e93162f10 [0,2,0,0,0,0|1,0,1]=4 1644 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,2,0,0,0,0|1,0,1]=4 1645 B8R0.7 C=C(Br)CCOCCC 724052c822c0bef7448f44a794bff992 [0,2,0,0,0,0|1,0,1]=4 1646 B8R0.7 C=C(Br)COCCCC ec6d613824c971053aa03d22d6526bd3 [0,2,0,0,0,0|1,0,1]=4 1647 B8R0.7 C=C(Br)COCCCF 485710d025a81dcbbf1b6346554cf146 [0,2,0,0,0,0|1,0,1]=4 1648 B8R0.7 C=C(Br)COCCCS fe1c867f52f3b335087c547702385f29 [0,2,0,0,0,0|1,0,1]=4 1649 B8R0.7 C=C(Br)COCCOC 2da701a5c4237e918809768f71501c67 [0,2,0,0,0,0|1,0,1]=4 1650 B8R0.7 C=C(Br)COCCSC 8115612421b5124e936093469c623be0 [0,2,0,0,0,0|1,0,1]=4 1651 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [0,2,0,0,0,0|2,0,0]=4 1652 B8R0.7 C=C(C)CCCOCF 76264cef51d14a00e40692a03297067c [0,2,0,0,0,0|2,0,0]=4 1653 B8R0.7 C=C(C)CCNCCBr 7ced6d8c6e32bc1f876500890047cded [0,2,0,0,0,0|2,0,0]=4 1654 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,2,0,0,0,0|2,0,0]=4 1655 B8R0.7 C=C(C)CCNCCF 8569016bcb7348aaa45008d66f5f6a2c [0,2,0,0,0,0|2,0,0]=4 1656 B8R0.7 C=C(C)CCNCCI d20ef749df3249ef9aaad80f778516f3 [0,2,0,0,0,0|2,0,0]=4 1657 B8R0.7 C=C(C)CCNCCO 21920b0882725c69be4c5ff08469b5db [0,2,0,0,0,0|2,0,0]=4 1658 B8R0.7 C=C(C)CCNCCS 2f2e2170dcd696655a54f1153dbc50c6 [0,2,0,0,0,0|2,0,0]=4 1659 B8R0.7 C=C(C)CCNCOC 7be90491ee700292d0e2b62ea3c5d946 [0,2,0,0,0,0|2,0,0]=4 1660 B8R0.7 C=C(C)CCNCSC 0537b76f67ce88918e3939b8c0661738 [0,2,0,0,0,0|2,0,0]=4 1661 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [0,2,0,0,0,0|1,0,0]=3 1662 B8R0.7 C=C(C)CCOCCF cad086a36984e044fb55164106973801 [0,2,0,0,0,0|2,0,0]=4 1663 B8R0.7 C=C(C)CCOCCS c14b0067a06142591fd279d6fe25eb06 [0,2,0,0,0,0|2,0,0]=4 1664 B8R0.7 C=C(C)CCOCOC 2d580783ee3d7b7a5ba6e90b0c9cd47a [0,2,0,0,0,0|2,0,0]=4 1665 B8R0.7 C=C(C)CCOCSC 8b354d12fad36f04225eaa7c7e6282c1 [0,2,0,0,0,0|2,0,0]=4 1666 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [0,2,0,0,0,0|2,0,0]=4 1667 B8R0.7 C=C(C)CNCCCCl 846c99a3b9539c7d1bf408b5c7720df3 [0,2,0,0,0,0|2,0,0]=4 1668 B8R0.7 C=C(C)CNCCCF beb220b1f62c61215fe4088c375ae748 [0,2,0,0,0,0|2,0,0]=4 1669 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,2,0,0,0,0|2,0,0]=4 1670 B8R0.7 C=C(C)CNCCCS 0a6e65af8417b99414a8ba398cfdd355 [0,2,0,0,0,0|2,0,0]=4 1671 B8R0.7 C=C(C)CNCCOC 9d11af89280f819077ad9c1b1c3e595f [0,2,0,0,0,0|2,0,0]=4 1672 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [0,2,0,0,0,0|2,0,0]=4 1673 B8R0.7 C=C(C)CNCOCC 5232fb2ea1283f6a12b07e7e1960cc36 [0,2,0,0,0,0|2,0,0]=4 1674 B8R0.7 C=C(C)COC/C=C/C 9e04ae272e77494b81914f356505f011 [0,2,0,0,0,0|1,0,1]=4 1675 B8R0.7 C=C(C)COC/C=C\C 9dbefe19b47e28f99e26e900c779acc8 [0,2,0,0,0,0|1,0,1]=4 1676 B8R0.7 C=C(C)COCC#CC 512e17659a58b95a7096a180bdf78bb8 [0,2,0,0,0,0|1,0,1]=4 1677 B8R0.7 C=C(C)COCC=CC 7ce3cc41c79f9b5fa7caf1b55f5060e6 [0,2,0,0,0,0|1,0,1]=4 1678 B8R0.7 C=C(C)COCCC#N a449fbb6e1b465ce9bc631de8344a28e [0,2,0,0,0,0|1,0,1]=4 1679 B8R0.7 C=C(C)COCCC=O 42d5e99ccfec788cebe16494c41e8b9c [0,2,0,0,0,0|1,0,1]=4 1680 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [0,2,0,0,0,0|1,0,0]=3 1681 B8R0.7 C=C(C)COCCCF d7bfb5949c51972c3e54f6e8bca91cae [0,2,0,0,0,0|1,0,0]=3 1682 B8R0.7 C=C(C)COCCCS ce1f8ade88868e163cf874f2fb32694a [0,2,0,0,0,0|1,0,0]=3 1683 B8R0.7 C=C(C)COCCOC 4c97b3aa85916d5020a98673772e2c8a [0,2,0,0,0,0|1,0,0]=3 1684 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [0,2,0,0,0,0|1,0,0]=3 1685 B8R0.7 C=C(C)COCOCC 386ffc84facf9cdf98d22feeb307d2d3 [0,2,0,0,0,0|1,0,0]=3 1686 B8R0.7 C=C(Cl)COCCCC b9221f326393a29bb0b2b7fc0007ae8a [0,2,0,0,0,0|1,0,1]=4 1687 B8R0.7 C=C(Cl)COCCCF df0ebcd5a5ec043e11fa10511cec886d [0,2,0,0,0,0|1,0,1]=4 1688 B8R0.7 C=C(Cl)COCCCS 7160b6ab4d2287624a72daa9ac553ab9 [0,2,0,0,0,0|1,0,1]=4 1689 B8R0.7 C=C(Cl)COCCOC 9cc11464b40b31027021ebe38caf2a78 [0,2,0,0,0,0|1,0,1]=4 1690 B8R0.7 C=C(Cl)COCCSC f3861298614a897487da4435e963ef56 [0,2,0,0,0,0|1,0,1]=4 1691 B8R0.7 C=C(Cl)COCOCC c9236da3ba1778fd40c20ee616eee0fa [0,2,0,0,0,0|1,0,1]=4 1692 B8R0.7 C=C(F)COCCCC 985eead93b4fa2eb0f6e6420dae41362 [0,2,0,0,0,0|1,0,1]=4 1693 B8R0.7 C=C(F)COCCCF ed746bbd677565603e8ef1e29192c14e [0,2,0,0,0,0|1,0,1]=4 1694 B8R0.7 C=C(F)COCCCS 4276a5a15f1500b7d0fe0d36afab567a [0,2,0,0,0,0|1,0,1]=4 1695 B8R0.7 C=C(F)COCCOC 823e22cf931d1dcb421932f5eadd6cab [0,2,0,0,0,0|1,0,1]=4 1696 B8R0.7 C=C(F)COCCSC e51737a42dec5b58b92e49d087c27bec [0,2,0,0,0,0|1,0,1]=4 1697 B8R0.7 C=C(I)COCCCC ad06c21e680b3d0f2a946d2102fcc07e [0,2,0,0,0,0|1,0,1]=4 1698 B8R0.7 C=C(I)COCCCF 98b86b232aa85ec97d29d3e3c401b763 [0,2,0,0,0,0|1,0,1]=4 1699 B8R0.7 C=C(I)COCCCS b6d1e77e6cd735be750b12b13ee107c1 [0,2,0,0,0,0|1,0,1]=4 1700 B8R0.7 C=C(I)COCCOC 9ba8f616af692aab0102499d760cb0fd [0,2,0,0,0,0|1,0,1]=4 1701 B8R0.7 C=C(I)COCCSC c966d9f86e479c95cf6527498693e642 [0,2,0,0,0,0|1,0,1]=4 1702 B8R0.7 C=C(I)COCOCC b942b2ec49271bb9aab579dd8a171d5c [0,2,0,0,0,0|1,0,1]=4 1703 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [0,2,0,0,0,0|1,0,0]=3 1704 B8R0.7 C=CCCCOC(C)C 44f540e8992dd6ebc85c497ca5bd3da7 [0,2,0,0,0,0|1,0,1]=4 1705 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [0,2,0,0,0,0|1,0,1]=4 1706 B8R0.7 C=CCCOCC(=C)C c7b7da80aa0d19abe69656ec6426f493 [0,2,0,0,0,0|1,0,1]=4 1707 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [0,2,0,0,0,0|0,0,1]=3 1708 B8R0.7 C=CCCOCC(=O)N a0132ffbe9a7c321f35b6b60f1c77d37 [0,2,0,0,0,0|1,0,1]=4 1709 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [0,2,0,0,0,0|1,0,1]=4 1710 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,2,0,0,0,0|0,0,2]=4 1711 B8R0.7 C=CCOCNC(=O)C 9865141036101ac320553ca04e5ea416 [0,2,0,0,0,0|0,0,2]=4 1712 B8R0.7 C=COCCNC(=O)C d3122f3ee5d15f554ff520f72b049913 [0,2,0,0,0,0|1,0,1]=4 1713 B8R0.7 CC#CCCOC(C)C 3bd7498126f8c47763ae18e97a46fa52 [0,2,0,0,0,0|1,0,1]=4 1714 B8R0.7 CC#CCOCC(=O)N ef79d1ce9d8ff13308dca4126378cdb3 [0,2,0,0,0,0|1,0,1]=4 1715 B8R0.7 CC#CCOCC(=O)O fcec6ff15e4ba99fb579eff8ab750539 [0,2,0,0,0,0|1,0,1]=4 1716 B8R0.7 CC(=CCNCCBr)C a55b896e64a2a24dcea696e93f3d29b6 [0,2,0,0,0,0|2,0,0]=4 1717 B8R0.7 CC(=CCNCCBr)Cl da103a3148d99bdcf6ee4737c6f92d11 [0,2,0,0,0,0|2,0,0]=4 1718 B8R0.7 CC(=CCNCCBr)I ccfd64b18bee69748658e34afbda1f16 [0,2,0,0,0,0|2,0,0]=4 1719 B8R0.7 CC(=CCNCCF)C 9e6ac6e82cc1d21b11b8470e7d3b5ee6 [0,2,0,0,0,0|2,0,0]=4 1720 B8R0.7 CC(=CCNCCF)Cl da303cdf29345d4c01bb3f64e1cd3aa5 [0,2,0,0,0,0|2,0,0]=4 1721 B8R0.7 CC(=CCNCCF)I 37a1a9dac32d03e079e42030e22e53d6 [0,2,0,0,0,0|2,0,0]=4 1722 B8R0.7 CC(=CCNCCI)C 6c6162fb471ce1956b7889e42241d115 [0,2,0,0,0,0|2,0,0]=4 1723 B8R0.7 CC(=CCNCCI)Cl 204180a4a19b2b2b8d95bc0e3f14c7c1 [0,2,0,0,0,0|2,0,0]=4 1724 B8R0.7 CC(=CCNCCI)I 234a6114c7a29d8c827c56fa0255a05a [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.7 CC(=CCNCCO)C 0feeda9211e49f7a10ebb18c907ce996 [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.7 CC(=CCNCCO)Cl 2ee9ba9ff7c8b9d705daa10c68d79bd1 [0,2,0,0,0,0|2,0,0]=4 1727 B8R0.7 CC(=CCNCCO)I 9067fd97739f8e67fe2797cc7f12cf31 [0,2,0,0,0,0|2,0,0]=4 1728 B8R0.7 CC(=CCNCCS)C c5569db12d572d4aa528877e2ad05cd7 [0,2,0,0,0,0|2,0,0]=4 1729 B8R0.7 CC(=CCNCCS)Cl 134fc2f24b107c4967c9f1bac1961e14 [0,2,0,0,0,0|2,0,0]=4 1730 B8R0.7 CC(=CCNCCS)I 5b73c6c8ebf0291b51ea1da5289fd0e7 [0,2,0,0,0,0|2,0,0]=4 1731 B8R0.7 CC(=CCOCCF)C baef75cf43465ef5950ad88174f89600 [0,2,0,0,0,0|2,0,0]=4 1732 B8R0.7 CC(=CCOCCF)Cl faa2570e2fec376527d4f1d2cd61f8aa [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.7 CC(=CCOCCF)I 63452976e3209b22b29b3606f87aa1fd [0,2,0,0,0,0|2,0,0]=4 1734 B8R0.7 CC(=CCOCCS)C c228681256606d28ce887dbb3a23c933 [0,2,0,0,0,0|2,0,0]=4 1735 B8R0.7 CC(=CCOCCS)Cl e1c819c21855fbe04ebffdaa74e47d9e [0,2,0,0,0,0|2,0,0]=4 1736 B8R0.7 CC(=CCOCCS)I ffdcf7e0ea2b02f8bd914eab49d2ab76 [0,2,0,0,0,0|2,0,0]=4 1737 B8R0.7 CC(=O)CCCNC#N 8b7273c99af5c82cd0047226199ec8d9 [0,2,0,0,0,0|1,0,1]=4 1738 B8R0.7 CC(=O)CCCOCF c94204172541830dae5131095b16871b [0,2,0,0,0,0|1,0,0]=3 1739 B8R0.7 CC(=O)CCNCC#N 769fb98f7c4af2806e1b1e6106e1fb3b [0,2,0,0,0,0|1,0,1]=4 1740 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,2,0,0,0,0|1,0,0]=3 1741 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,2,0,0,0,0|1,0,0]=3 1742 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,2,0,0,0,0|1,0,0]=3 1743 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,2,0,0,0,0|1,0,0]=3 1744 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,2,0,0,0,0|1,0,0]=3 1745 B8R0.7 CC(=O)CCOCC#N e0071fb57f9ed70e6e69159a4d59ad92 [0,2,0,0,0,0|1,0,1]=4 1746 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [0,2,0,0,0,0|1,0,1]=4 1747 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,2,0,0,0,0|1,0,0]=3 1748 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,2,0,0,0,0|1,0,0]=3 1749 B8R0.7 CC(=O)CNCCC#N cee37c97fe16e1f2f71518cd3f26d1c6 [0,2,0,0,0,0|1,0,1]=4 1750 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [0,2,0,0,0,0|1,0,1]=4 1751 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,2,0,0,0,0|1,0,0]=3 1752 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,2,0,0,0,0|1,0,0]=3 1753 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,2,0,0,0,0|1,0,0]=3 1754 B8R0.7 CC(=O)COC/C=C/Cl f28a84584009e5c8efc1107a62fa8ba7 [0,2,0,0,0,0|0,0,2]=4 1755 B8R0.7 CC(=O)COC/C=C\Cl 66fd27dbc2c5b7652d1a6492573d5a55 [0,2,0,0,0,0|0,0,2]=4 1756 B8R0.7 CC(=O)COCCC#N 124c12496a741677c11befadae46beff [0,2,0,0,0,0|0,0,1]=3 1757 B8R0.7 CC(=O)COCCC=O 67fac1685908ac3ed2e3421f7c02f4dc [0,2,0,0,0,0|0,0,1]=3 1758 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,2,0,0,0,0|0,0,0]=2 1759 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,2,0,0,0,0|0,0,0]=2 1760 B8R0.7 CC(=O)COCSC#N 45722447bc4e749f07479fd95098068f [0,2,0,0,0,0|1,0,1]=4 1761 B8R0.7 CC(=O)NCC#CCO 4919a6f100f8a62500b898bebf5a0bda [0,2,0,0,0,0|1,0,1]=4 1762 B8R0.7 CC(=O)NCCCC#N 4c43f07b4dd9f661d7f672a979b3f954 [0,2,0,0,0,0|1,0,0]=3 1763 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [0,2,0,0,0,0|1,0,0]=3 1764 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,2,0,0,0,0|1,0,0]=3 1765 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [0,2,0,0,0,0|1,0,0]=3 1766 B8R0.7 CC(=O)NCCNC#N 95efa0023bceb0a2b0d79fbdaebbcbbd [0,2,0,0,0,0|1,0,1]=4 1767 B8R0.7 CC(=O)NCCNC=O 4f32f9322d14cf6774bb2f41854d1526 [0,2,0,0,0,0|1,0,1]=4 1768 B8R0.7 CC(=O)NCCNCF db91b63aaf221a36f5f6ac9412eb39bb [0,2,0,0,0,0|1,0,0]=3 1769 B8R0.7 CC(=O)NCCNCO 818a1f0b2f9e527fc51c0718d6aa51ec [0,2,0,0,0,0|1,0,0]=3 1770 B8R0.7 CC(=O)NCCOCF 64711f295825afc1aa99ebd9c8f8a648 [0,2,0,0,0,0|1,0,0]=3 1771 B8R0.7 CC(=O)NCOCC#N b053a1344c34ad65ecd0de92c5fa0aa8 [0,2,0,0,0,0|1,0,1]=4 1772 B8R0.7 CC(=O)NCOCC=O 310db67b0a81e8cdbbbd8479bed9a419 [0,2,0,0,0,0|1,0,1]=4 1773 B8R0.7 CC(=O)NCOCCF 71f4d510aaa6fcd6f0cc129128b41850 [0,2,0,0,0,0|1,0,0]=3 1774 B8R0.7 CC(=O)NCOCCS ea386d431c82b5e4a577412c44abfbbd [0,2,0,0,0,0|1,0,0]=3 1775 B8R0.7 CC(=O)OCCNC#N d3b7a34c2be1145ddbc69d025dbeb0a2 [0,2,0,0,0,0|0,0,1]=3 1776 B8R0.7 CC(=O)OCCOCF 756380d609b85c4340107bc6c786fe33 [0,2,0,0,0,0|0,0,0]=2 1777 B8R0.7 CC(=O)OCNCC#N 86364d6a718cf5fa48d9cba08e93433f [0,2,0,0,0,0|0,0,1]=3 1778 B8R0.7 CC(=O)OCNCCBr 174298ba317d3d2bde96945db1ddc7ca [0,2,0,0,0,0|0,0,0]=2 1779 B8R0.7 CC(=O)OCNCCF 63fb375855a825e0738d855f91fad5fd [0,2,0,0,0,0|0,0,0]=2 1780 B8R0.7 CC(=O)OCNCCI dbce8e98f599d4912e85f711777f148f [0,2,0,0,0,0|0,0,0]=2 1781 B8R0.7 CC(=O)OCNCCO 02ed0f7075f3856f82fcf4a6039e490a [0,2,0,0,0,0|0,0,0]=2 1782 B8R0.7 CC(=O)OCNCCS 754743a28ff18a32145801e587e13f07 [0,2,0,0,0,0|0,0,0]=2 1783 B8R0.7 CC(=O)OCOCC#N 6c9d2cfa71f296d57d67637eb988c618 [0,2,0,0,0,0|0,0,1]=3 1784 B8R0.7 CC(=O)OCOCCF 5b1b288bc16deebdd842b5c68c58b799 [0,2,0,0,0,0|0,0,0]=2 1785 B8R0.7 CC(=O)OCOCCS 5bf0970c2800c0896344fcb315a8ccbb [0,2,0,0,0,0|0,0,0]=2 1786 B8R0.7 CC(=O)SCCNC#N 2ae6bbba50ca20c4c7a6599298b92317 [0,2,0,0,0,0|0,1,1]=4 1787 B8R0.7 CC(C)COCCCF 47b3e7003392b7e4d6af83ce49e8ae15 [0,2,0,0,0,0|1,0,1]=4 1788 B8R0.7 CC(C)COCCCS 4a6bc2e192e2a8c81d6a0173f59ed2af [0,2,0,0,0,0|1,0,1]=4 1789 B8R0.7 CC(C)OCCCC#N 71b8013ef203dbf4432810bfa1831972 [0,2,0,0,0,0|1,0,1]=4 1790 B8R0.7 CC(C)OCCCC=O a0a336521d27b867089bba2506cd7e1c [0,2,0,0,0,0|1,0,1]=4 1791 B8R0.7 CC(C)OCCCCF f9388f7924de81152ad266bc0e0fb91b [0,2,0,0,0,0|1,0,1]=4 1792 B8R0.7 CC(C)OCCCCS 7024b4637fc758d50ee27d269b165a7f [0,2,0,0,0,0|1,0,1]=4 1793 B8R0.7 CC(C)OCCNCF ca7e09670c9108b2fbd1a661d74bd4fe [0,2,0,0,0,0|1,0,1]=4 1794 B8R0.7 CC(C)OCCNCO 0aee07ff538edc4e8f422683fa1e35c0 [0,2,0,0,0,0|1,0,1]=4 1795 B8R0.7 CC(C)OCCOCF 1ac51082503e72919a501812144362d3 [0,2,0,0,0,0|1,0,1]=4 1796 B8R0.7 CC(C)OCNCCBr c10f84326c8f1facef1beace5d5f8de1 [0,2,0,0,0,0|1,0,1]=4 1797 B8R0.7 CC(C)OCNCCF ccb017660ebad218ec4c5f4ccaed4b40 [0,2,0,0,0,0|1,0,1]=4 1798 B8R0.7 CC(C)OCNCCI 07166ab0566f313c801c90a86e9e95e5 [0,2,0,0,0,0|1,0,1]=4 1799 B8R0.7 CC(C)OCNCCO 7914ffab43828f446a5354dacb24e6a5 [0,2,0,0,0,0|1,0,1]=4 1800 B8R0.7 CC(C)OCNCCS e3ebe926aa59c07cebf3b43b2242d75f [0,2,0,0,0,0|1,0,1]=4 1801 B8R0.7 CC(C)OCOCCS 9144574496b338e238512c7a6f65237c [0,2,0,0,0,0|1,0,1]=4 1802 B8R0.7 CC(F)COCCCF 38263380a67c44c16346ab110c4b14ed [0,2,0,0,0,0|1,0,1]=4 1803 B8R0.7 CC(F)COCCCS fe888356fa7666952d363a84eef052cb [0,2,0,0,0,0|1,0,1]=4 1804 B8R0.7 CC(S)COCCCF 1229d17f0ba7624aa77ee6d4b579a426 [0,2,0,0,0,0|0,1,1]=4 1805 B8R0.7 CC(S)COCCCS 94410c03f092028f1e752124b10b39f6 [0,2,0,0,0,0|0,1,1]=4 1806 B8R0.7 CC/C=C/COC(C)C d67b04cdb3ee857cf285217420b83c9a [0,2,0,0,0,0|1,0,1]=4 1807 B8R0.7 CC/C=C\COC(C)C 1eaca156f92510db32152c3a8502c92d [0,2,0,0,0,0|1,0,1]=4 1808 B8R0.7 CC=CCOCC(=O)N 88e8dd09adb68044e374d93bc6b3c79e [0,2,0,0,0,0|1,0,1]=4 1809 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,2,0,0,0,0|1,0,1]=4 1810 B8R0.7 CCC#CCOC(C)C 6da481c9acb14149944d72b9da0f6909 [0,2,0,0,0,0|1,0,1]=4 1811 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,2,0,0,0,0|1,0,0]=3 1812 B8R0.7 CCCCCOC(C)C d4e915467a92d9554e0d3ccd108d1b4d [0,2,0,0,0,0|1,0,1]=4 1813 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,2,0,0,0,0|1,0,0]=3 1814 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,2,0,0,0,0|2,0,0]=4 1815 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,2,0,0,0,0|2,0,0]=4 1816 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,2,0,0,0,0|0,0,0]=2 1817 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,2,0,0,0,0|1,0,0]=3 1818 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,2,0,0,0,0|1,0,0]=3 1819 B8R0.7 CCCCOCC(=S)N 66f00256fcd5080323facaf554f24131 [0,2,0,0,0,0|1,1,0]=4 1820 B8R0.7 CCCCOCC(C)C 68b7612d0f936ebbf9a831b7d6c778be [0,2,0,0,0,0|1,0,1]=4 1821 B8R0.7 CCCCOCC(C)F b61cc2ea745ef93460e21e251f057d4d [0,2,0,0,0,0|1,0,1]=4 1822 B8R0.7 CCCCOCC(C)S 0d43463b5fb693fda0dbccdcbbdd2ce0 [0,2,0,0,0,0|0,1,1]=4 1823 B8R0.7 CCCCOCN(C)C 3598f39145ccde2eee87aa91337fcbb4 [0,2,0,0,0,0|2,0,0]=4 1824 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [0,2,0,0,0,0|2,0,0]=4 1825 B8R0.7 CCCCOC[C@@H](C)F 395daf95e36b203ab6e7a7c03c8e4490 [0,2,0,0,0,0|1,0,1]=4 1826 B8R0.7 CCCCOC[C@H](C)F 26014bea3230facd252589a2fc4ef47c [0,2,0,0,0,0|1,0,1]=4 1827 B8R0.7 CCCCOC[N+](=O)[O-] 94b3f3bcc50279ace071168fd7298364 [0,2,0,0,0,0|2,0,0]=4 1828 B8R0.7 CCCNC/C=C(/C)\I a77ce06125d9c73831e62376d6be0fc0 [0,2,0,0,0,0|2,0,0]=4 1829 B8R0.7 CCCNC/C=C(\C)/Cl 126e03eaad5b55a6a1e28418959632f2 [0,2,0,0,0,0|2,0,0]=4 1830 B8R0.7 CCCNCC=C(C)C 029a389e0c61ae0bd25944f993ae298b [0,2,0,0,0,0|2,0,0]=4 1831 B8R0.7 CCCNCC=C(C)Cl efaac4fe73efd3293fd70f693c290d56 [0,2,0,0,0,0|2,0,0]=4 1832 B8R0.7 CCCNCC=C(C)I a5752b317cc0800d3b92ad72ab74de8f [0,2,0,0,0,0|2,0,0]=4 1833 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,2,0,0,0,0|1,0,0]=3 1834 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,2,0,0,0,0|2,0,0]=4 1835 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,2,0,0,0,0|2,0,0]=4 1836 B8R0.7 CCCNCCS(=O)C 8907fe98197a1b6e79d094b2d7a6d4a5 [0,2,0,0,0,0|2,0,0]=4 1837 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [0,2,0,0,0,0|0,0,0]=2 1838 B8R0.7 CCCNCOC(C)C f9d15999e9514468c33a2297857aa4db [0,2,0,0,0,0|1,0,1]=4 1839 B8R0.7 CCCNCSC(=O)N 21ecf184b2a8dc86141aa6b38ac15f2d [0,2,0,0,0,0|1,1,0]=4 1840 B8R0.7 CCCOC/C=C(/C)\Cl e5b94c0880532c7df7e87dea267bb3ef [0,2,0,0,0,0|1,0,0]=3 1841 B8R0.7 CCCOC/C=C(/C)\I 1101d7d371ceb7c7bf005fcd8d3d5521 [0,2,0,0,0,0|1,0,0]=3 1842 B8R0.7 CCCOC/C=C(\C)/Cl 3b21530ea6646e5380074ec64c6c9e4b [0,2,0,0,0,0|1,0,0]=3 1843 B8R0.7 CCCOCC=C(C)C b30e82a8d352d0695bc34774c65bba1f [0,2,0,0,0,0|1,0,0]=3 1844 B8R0.7 CCCOCC=C(C)Cl 4a4c390369b94edf3a434bd7810fee83 [0,2,0,0,0,0|1,0,0]=3 1845 B8R0.7 CCCOCC=C(C)I 1c329db9da6fd808a5be639e1c562867 [0,2,0,0,0,0|1,0,0]=3 1846 B8R0.7 CCCOCC=C(Cl)Cl 0d884fb615940692bddcdbe164ef960a [0,2,0,0,0,0|2,0,0]=4 1847 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,2,0,0,0,0|0,0,0]=2 1848 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,2,0,0,0,0|1,0,0]=3 1849 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,2,0,0,0,0|1,0,0]=3 1850 B8R0.7 CCCOCCC(C)C 2eab4c15e86c20ee350695e4727673e2 [0,2,0,0,0,0|1,0,1]=4 1851 B8R0.7 CCCOCCN(C)C 79c8f5d530bd776f1befe5ca1224c45c [0,2,0,0,0,0|2,0,0]=4 1852 B8R0.7 CCCOCCS(=O)C 2c35684313aa0effe020f10a0837e485 [0,2,0,0,0,0|1,0,0]=3 1853 B8R0.7 CCCOCC[N+](=O)[O-] 11f99b66cb4f802bc9ea03fcd4d8e421 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [0,2,0,0,0,0|0,0,0]=2 1855 B8R0.7 CCCOCNC(=O)N 0c3353a650f6a23c649d3b49f74f0755 [0,2,0,0,0,0|1,0,0]=3 1856 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [0,2,0,0,0,0|0,0,0]=2 1857 B8R0.7 CCCOCOC(C)C fd6891fd9649f5bf81816c72f5c16735 [0,2,0,0,0,0|1,0,1]=4 1858 B8R0.7 CCCOCSC(=O)N a8d0da169e47db6ff5658c749b630f62 [0,2,0,0,0,0|1,0,0]=3 1859 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [0,2,0,0,0,0|2,0,0]=4 1860 B8R0.7 CCNCC#CC(=O)N 3ed8df5b98a3cc4f23be821cadba243e [0,2,0,0,0,0|2,0,0]=4 1861 B8R0.7 CCNCC#CC(=O)O 451eb2c163912cae12c5d5f7dc6a6856 [0,2,0,0,0,0|2,0,0]=4 1862 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [0,2,0,0,0,0|2,0,0]=4 1863 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [0,2,0,0,0,0|2,0,0]=4 1864 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,2,0,0,0,0|2,0,0]=4 1865 B8R0.7 CCNCCCS(=O)C 391b9e72626e76cdd4e5a903c9b4bc67 [0,2,0,0,0,0|2,0,0]=4 1866 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [0,2,0,0,0,0|1,0,0]=3 1867 B8R0.7 CCNCCOC(C)C be50a6a34b1a0d33a68476fc3cc4fc23 [0,2,0,0,0,0|1,0,1]=4 1868 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [0,2,0,0,0,0|2,0,0]=4 1869 B8R0.7 CCOCC#CC(=O)O c98c8c0a09bdc73b6fd1ff1e3aa38396 [0,2,0,0,0,0|2,0,0]=4 1870 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [0,2,0,0,0,0|2,0,0]=4 1871 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [0,2,0,0,0,0|1,0,0]=3 1872 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [0,2,0,0,0,0|2,0,0]=4 1873 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [0,2,0,0,0,0|1,0,0]=3 1874 B8R0.7 CCOCCNC(=O)N 1d69caaced26be13153afb55af020221 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [0,2,0,0,0,0|0,0,0]=2 1876 B8R0.7 CCOCCOC(C)C 5638f825d72fcf2c0e9a4e590d9025e5 [0,2,0,0,0,0|1,0,1]=4 1877 B8R0.7 CCOCNCC(=O)C 534404aa2bb4eb60a9a5f4f7d068a4cd [0,2,0,0,0,0|1,0,0]=3 1878 B8R0.7 CCOCNCC(=O)N 8c5834421c71bace2ac17791d8413420 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,2,0,0,0,0|2,0,0]=4 1880 B8R0.7 CCOCOCC(=O)C e044734fa15c25bee2b20056cca4f1a8 [0,2,0,0,0,0|0,0,0]=2 1881 B8R0.7 CCOCOCC(=O)N 4677b548e92ecffae954122455550d38 [0,2,0,0,0,0|1,0,0]=3 1882 B8R0.7 CCOCOCC(=S)N 954df826bc8116ccaedc3c11f318ede4 [0,2,0,0,0,0|1,1,0]=4 1883 B8R0.7 CCOCOCC(C)C a62032555c2fcc8079d2a4ea098abbb2 [0,2,0,0,0,0|1,0,1]=4 1884 B8R0.7 CCOCOCC(C)F c73dd79a306bce2783fd05bd33e397eb [0,2,0,0,0,0|1,0,1]=4 1885 B8R0.7 CCOCOCC(C)S 6ee669514f4c9e2f06c593da2130e07c [0,2,0,0,0,0|0,1,1]=4 1886 B8R0.7 CCOCOCS(=O)O f0f6516ce26ef8345e6a1b5134db53f6 [0,2,0,0,0,0|2,0,0]=4 1887 B8R0.7 CCOCOC[C@@H](C)F 62b5805653e2df433a0fe0a15f5fbf76 [0,2,0,0,0,0|1,0,1]=4 1888 B8R0.7 CCOCOC[C@H](C)F 677fe224f9fcff3deb910c4464e1887d [0,2,0,0,0,0|1,0,1]=4 1889 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [0,2,0,0,0,0|1,0,0]=3 1890 B8R0.7 CCSCCOC(C)C d8b7a1fba7566c3744049605e758719d [0,2,0,0,0,0|1,0,1]=4 1891 B8R0.7 CN(C)COCCCF d066bb473d1bdee94a6093b8c856254c [0,2,0,0,0,0|2,0,0]=4 1892 B8R0.7 CN(C)COCCCS 72871a562f1c74c01219900a6237cd65 [0,2,0,0,0,0|2,0,0]=4 1893 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [0,2,0,0,0,0|1,0,0]=3 1894 B8R0.7 COCCCOC(C)C 5684bb8a7ac01785c80283a1f20a9ef4 [0,2,0,0,0,0|1,0,1]=4 1895 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,2,0,0,0,0|1,0,0]=3 1896 B8R0.7 COCCNCC(=O)N 137fcc310030132af81430a136880512 [0,2,0,0,0,0|2,0,0]=4 1897 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,2,0,0,0,0|2,0,0]=4 1898 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,2,0,0,0,0|0,0,0]=2 1899 B8R0.7 COCCOCC(=O)N 52e3a5cb41b7881a4ace23e25a8bc04a [0,2,0,0,0,0|1,0,0]=3 1900 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,2,0,0,0,0|1,0,0]=3 1901 B8R0.7 COCCOCC(=S)N f6b7727d398d2dd73460849d3902a55b [0,2,0,0,0,0|1,1,0]=4 1902 B8R0.7 COCCOCC(C)C d0e5035e5ad75d7667af2fe282c6f0ba [0,2,0,0,0,0|1,0,1]=4 1903 B8R0.7 COCCOCC(C)F 1ea288114b620c4cc60edddefbfb1519 [0,2,0,0,0,0|1,0,1]=4 1904 B8R0.7 COCCOCC(C)S 47bc24d67a548bf8c3c221f967c74e10 [0,2,0,0,0,0|0,1,1]=4 1905 B8R0.7 COCCOCN(C)C 5f430e22d7d61b20b5ef9532a0187c14 [0,2,0,0,0,0|2,0,0]=4 1906 B8R0.7 COCCOCS(=O)O 9425fd968f35d546d46a8c1e3b670b55 [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.7 COCCOC[C@@H](C)F 618ae4185ff142f7f47a17f052759c0d [0,2,0,0,0,0|1,0,1]=4 1908 B8R0.7 COCCOC[C@H](C)F a7127a4f8e91a396cf79f96f9636bc86 [0,2,0,0,0,0|1,0,1]=4 1909 B8R0.7 COCCOC[N+](=O)[O-] 21fa290ed814068495c8c8fca5430a92 [0,2,0,0,0,0|2,0,0]=4 1910 B8R0.7 COCNCC=C(C)C 44d00f3be0e21ff071ad6c1288f1c267 [0,2,0,0,0,0|2,0,0]=4 1911 B8R0.7 COCNCCC(=O)N 75a34d6a21e65f0fa9c3ab03a203332a [0,2,0,0,0,0|2,0,0]=4 1912 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.7 COCNCCS(=O)C c1b03b36250a7d65845034eba40ff581 [0,2,0,0,0,0|2,0,0]=4 1914 B8R0.7 COCOC/C=C(/C)\Cl 3776a205f0b3ed3b43784b67a9768dc6 [0,2,0,0,0,0|2,0,0]=4 1915 B8R0.7 COCOC/C=C(/C)\I 0e8d23d28e53c050fb72528763986d24 [0,2,0,0,0,0|2,0,0]=4 1916 B8R0.7 COCOC/C=C(\C)/Cl 23a2a577a7bc051f382b9e7ddd5bbaf6 [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.7 COCOCC=C(C)C eb10f9b59f2f4c3199e566133e6d3f14 [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.7 COCOCC=C(C)Cl 15c802fd764248f4bd30dc44ceb30738 [0,2,0,0,0,0|2,0,0]=4 1919 B8R0.7 COCOCC=C(C)I 8fcfb14eb360bce6250b6434a2546cba [0,2,0,0,0,0|2,0,0]=4 1920 B8R0.7 COCOCCC(=O)C 85ebfe45bbace861b367f83c75d33358 [0,2,0,0,0,0|1,0,0]=3 1921 B8R0.7 COCOCCC(=O)N dacd263a3e35c03bcd8f525b496ade95 [0,2,0,0,0,0|2,0,0]=4 1922 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [0,2,0,0,0,0|2,0,0]=4 1923 B8R0.7 COCOCCS(=O)C 5c514c40760f28852b9a3cba0a2dcded [0,2,0,0,0,0|2,0,0]=4 1924 B8R0.7 COCOCNC(=O)C 312d16668782054e8a09863d487deec3 [0,2,0,0,0,0|1,0,0]=3 1925 B8R0.7 COCOCNC(=O)N 8c51aa8d583d0d6c2d56097b83e9eb7a [0,2,0,0,0,0|2,0,0]=4 1926 B8R0.7 COCOCOC(=O)C 54249d0e78c186a79ad9be3cc51e7aac [0,2,0,0,0,0|0,0,0]=2 1927 B8R0.7 COCOCOC(C)C 808acfcb204685ab9989b9ebb33f50d9 [0,2,0,0,0,0|1,0,1]=4 1928 B8R0.7 COCOCSC(=O)N f4fd591d10edf01493f31a36cb5acea5 [0,2,0,0,0,0|1,1,0]=4 1929 B8R0.7 CS(=O)CCCNCF 1782bd36c07605f68f0fc42848ad0ff8 [0,2,0,0,0,0|2,0,0]=4 1930 B8R0.7 CS(=O)CCCNCO 61e6364bb166cbf2cabd3dc6ad6ca626 [0,2,0,0,0,0|2,0,0]=4 1931 B8R0.7 CS(=O)CCNCCBr 65a2b15dd6aa44ab4cdd342d230b704b [0,2,0,0,0,0|2,0,0]=4 1932 B8R0.7 CS(=O)CCNCCF cbee396aafd868112d9d9f046e829220 [0,2,0,0,0,0|2,0,0]=4 1933 B8R0.7 CS(=O)CCNCCI 629ce25a6db322c2ba9dda0f6a58fe44 [0,2,0,0,0,0|2,0,0]=4 1934 B8R0.7 CS(=O)CCNCCO 93f7733e139b010e12660cb8139e909a [0,2,0,0,0,0|2,0,0]=4 1935 B8R0.7 CS(=O)CCNCCS 49818c7057088eae67f281721402a222 [0,2,0,0,0,0|2,0,0]=4 1936 B8R0.7 CS(=O)CCOCCF fdaadfc676436847a62c0e42bb0f6865 [0,2,0,0,0,0|2,0,0]=4 1937 B8R0.7 CS(=O)CCOCCS 189076507e3322af2f6154476fa0f988 [0,2,0,0,0,0|2,0,0]=4 1938 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [0,2,0,0,0,0|1,0,0]=3 1939 B8R0.7 CSCCCOC(C)C f53d2336fb0f520dbcdbe91d0f6f8fb0 [0,2,0,0,0,0|1,0,1]=4 1940 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,2,0,0,0,0|1,0,0]=3 1941 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,2,0,0,0,0|2,0,0]=4 1942 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,2,0,0,0,0|2,0,0]=4 1943 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,2,0,0,0,0|0,0,0]=2 1944 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,2,0,0,0,0|1,0,0]=3 1945 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,2,0,0,0,0|1,0,0]=3 1946 B8R0.7 CSCCOCC(=S)N 8e53e76a280366e5d6cfa827b0973738 [0,2,0,0,0,0|1,1,0]=4 1947 B8R0.7 CSCCOCC(C)C 0d7a1f3f7a05c508cd670d9e86716796 [0,2,0,0,0,0|1,0,1]=4 1948 B8R0.7 CSCCOCC(C)F 80f140badf9f25b22d70fb346f4d0883 [0,2,0,0,0,0|1,0,1]=4 1949 B8R0.7 CSCCOCC(C)S 2f86d3f6e09192270304f09a6b263742 [0,2,0,0,0,0|0,1,1]=4 1950 B8R0.7 CSCCOCN(C)C 9308692fd6962d1147703bf4247f7a7d [0,2,0,0,0,0|2,0,0]=4 1951 B8R0.7 CSCCOCS(=O)O 15541620354d70e96c81747abb1141b3 [0,2,0,0,0,0|2,0,0]=4 1952 B8R0.7 CSCCOC[C@@H](C)F 5ba4bde9293c7841a265783d6b74aa63 [0,2,0,0,0,0|1,0,1]=4 1953 B8R0.7 CSCCOC[C@H](C)F ee0c773744b281d9a929624016cd27ef [0,2,0,0,0,0|1,0,1]=4 1954 B8R0.7 CSCCOC[N+](=O)[O-] 2bf267c3fb5b82c38f2e976f242beca6 [0,2,0,0,0,0|2,0,0]=4 1955 B8R0.7 CSCNCC=C(C)C bd33927766e98f2dd5dacc45b1e895e0 [0,2,0,0,0,0|2,0,0]=4 1956 B8R0.7 CSCNCCC(=O)N 2c9d140685046003cf9f9ad555d9359d [0,2,0,0,0,0|2,0,0]=4 1957 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,2,0,0,0,0|2,0,0]=4 1958 B8R0.7 CSCNCCS(=O)C 584a2850b756fa8cc87b9ef394dad8f0 [0,2,0,0,0,0|2,0,0]=4 1959 B8R0.7 CSCOC/C=C(/C)\Cl 8d77159a9471ed7fc5abfcaf1f063828 [0,2,0,0,0,0|2,0,0]=4 1960 B8R0.7 CSCOC/C=C(/C)\I f0fc199a9870d21b85403d2ccfe3954c [0,2,0,0,0,0|2,0,0]=4 1961 B8R0.7 CSCOCC=C(C)C 11fcffec5a5501fa1669666c27a89e75 [0,2,0,0,0,0|2,0,0]=4 1962 B8R0.7 CSCOCC=C(C)I 58f451f90704dfc8e77cfeb8f7eddabe [0,2,0,0,0,0|2,0,0]=4 1963 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,2,0,0,0,0|1,0,0]=3 1964 B8R0.7 CSCOCCC(=O)N 80656c5e91a3a0e1eab18691c1ff654d [0,2,0,0,0,0|2,0,0]=4 1965 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.7 CSCOCCS(=O)C 36c06b13169a7a72e8a51ac6beeed9ff [0,2,0,0,0,0|2,0,0]=4 1967 B8R0.7 CSCOCNC(=O)C 30bfc52f57e4ed91a642bf8853a3d4bb [0,2,0,0,0,0|1,0,0]=3 1968 B8R0.7 CSCOCNC(=O)N e604504e4304b798bbdf3488c593e93f [0,2,0,0,0,0|2,0,0]=4 1969 B8R0.7 C[C@@H](F)COCCCF 8805caf11ad5173a48da127f306cfd46 [0,2,0,0,0,0|1,0,1]=4 1970 B8R0.7 C[C@@H](F)COCCCS 52a73dcf003de152a94ea23565833dab [0,2,0,0,0,0|1,0,1]=4 1971 B8R0.7 C[C@H](F)COCCCF 1d700dd3528aa4704e235d13af34ba12 [0,2,0,0,0,0|1,0,1]=4 1972 B8R0.7 C[C@H](F)COCCCS 5c5cb3ef07f9bf5feab54c6a3593d0af [0,2,0,0,0,0|1,0,1]=4 1973 B8R0.7 N#CCCOCC(=O)N b99ce03c0315cf66d8d4c6d4a3bf1d14 [0,2,0,0,0,0|1,0,1]=4 1974 B8R0.7 N#CCCOCC(=O)O 913a62d3473039da7a70e24bab5e1d23 [0,2,0,0,0,0|1,0,1]=4 1975 B8R0.7 NC(=O)CCCNCF 69e545c202cd7c9a6342c69c6e6a5f59 [0,2,0,0,0,0|2,0,0]=4 1976 B8R0.7 NC(=O)CCCNCO f70a60c235672d89293f900a8d9cefa7 [0,2,0,0,0,0|2,0,0]=4 1977 B8R0.7 NC(=O)CCCOCF 15f9a4387dce16382a2e493f0dda5b13 [0,2,0,0,0,0|2,0,0]=4 1978 B8R0.7 NC(=O)CCNCCBr ef24ce00bd552b4c7b9798b47e83c534 [0,2,0,0,0,0|2,0,0]=4 1979 B8R0.7 NC(=O)CCNCCF 6b59759188d6118acfcc7c61e6ea8d88 [0,2,0,0,0,0|2,0,0]=4 1980 B8R0.7 NC(=O)CCNCCI 3bfe0d669e39520f94e74660ecea4a46 [0,2,0,0,0,0|2,0,0]=4 1981 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,2,0,0,0,0|2,0,0]=4 1982 B8R0.7 NC(=O)CCNCCS c12ed7aa66bfc39da304ecb7c8d6cdd6 [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.7 NC(=O)CCOCCF 21f605ef26e643b6ae8cba650c7f6b82 [0,2,0,0,0,0|2,0,0]=4 1984 B8R0.7 NC(=O)CCOCCS 2a5607f5a17aca280aa8d0bbb5f8e88b [0,2,0,0,0,0|2,0,0]=4 1985 B8R0.7 NC(=O)CNCCCCl 1db53d8b6e8ec0b45f5ac5aea65a66af [0,2,0,0,0,0|2,0,0]=4 1986 B8R0.7 NC(=O)CNCCCF b8df96f83ebeea4472e3f0cf574d5c10 [0,2,0,0,0,0|2,0,0]=4 1987 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,2,0,0,0,0|2,0,0]=4 1988 B8R0.7 NC(=O)CNCCCS 0cd1ecba18cd09d4875eb7edc039e565 [0,2,0,0,0,0|2,0,0]=4 1989 B8R0.7 NC(=O)COCCC=O a002e12bccccfe874b23b19106d1c078 [0,2,0,0,0,0|1,0,1]=4 1990 B8R0.7 NC(=O)COCCCF 4c181403b43bd0150828aba20f5caec7 [0,2,0,0,0,0|1,0,0]=3 1991 B8R0.7 NC(=O)COCCCS 4ccafd8c8a1e89284daea9397b358185 [0,2,0,0,0,0|1,0,0]=3 1992 B8R0.7 NC(=O)NCCOCF 6cf2e6129bf0181d6cd1339653610748 [0,2,0,0,0,0|2,0,0]=4 1993 B8R0.7 NC(=O)NCOCCF 70e12722ed7f3cb3265862a7036f0a5b [0,2,0,0,0,0|2,0,0]=4 1994 B8R0.7 NC(=O)NCOCCS 31a58401280f8e87024f965b56e917c9 [0,2,0,0,0,0|2,0,0]=4 1995 B8R0.7 NC(=O)SCNCCBr a18bbb3388dfdcfd1f6f509fd5fbda0b [0,2,0,0,0,0|1,1,0]=4 1996 B8R0.7 NC(=O)SCNCCF 4a29eb06061c53fde2f8ddeddc4ba291 [0,2,0,0,0,0|1,1,0]=4 1997 B8R0.7 NC(=O)SCNCCI cb063e4fec88bd89544691f69806660f [0,2,0,0,0,0|1,1,0]=4 1998 B8R0.7 NC(=O)SCNCCO 1bbc095343c94ca3982d1ab4934c107c [0,2,0,0,0,0|1,1,0]=4 1999 B8R0.7 NC(=O)SCNCCS 0b0215353189fed4528d74a89e9c9b1e [0,2,0,0,0,0|1,1,0]=4 2000 B8R0.7 NC(=O)SCOCCS 7bd5c5dadb46c042939556ce57d641a3 [0,2,0,0,0,0|1,1,0]=4 2001 B8R0.7 NC(=S)COCCCF 276e389abf4633d6ecfcfef8f2d69a36 [0,2,0,0,0,0|1,1,0]=4 2002 B8R0.7 NC(=S)COCCCS f94616acf348ebe1f39d3ed9b66f65e4 [0,2,0,0,0,0|1,1,0]=4 2003 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [0,2,0,0,0,0|2,0,0]=4 2004 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [0,2,0,0,0,0|2,0,0]=4 2005 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [0,2,0,0,0,0|2,0,0]=4 2006 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [0,2,0,0,0,0|2,0,0]=4 2007 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [0,2,0,0,0,0|2,0,0]=4 2008 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,2,0,0,0,0|2,0,0]=4 2009 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [0,2,0,0,0,0|2,0,0]=4 2010 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,2,0,0,0,0|2,0,0]=4 2011 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,2,0,0,0,0|2,0,0]=4 2012 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,2,0,0,0,0|2,0,0]=4 2013 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,2,0,0,0,0|2,0,0]=4 2014 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,2,0,0,0,0|2,0,0]=4 2015 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,2,0,0,0,0|2,0,0]=4 2016 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [0,2,0,0,0,0|1,0,0]=3 2017 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [0,2,0,0,0,0|1,0,0]=3 2018 B8R0.7 O=CCCOCC(=O)O ef6505414c853b0dfbd12bbe62edb448 [0,2,0,0,0,0|1,0,1]=4 2019 B8R0.7 O=S(O)COCCCF 30d2ec6240fb1c16499271a4f6492117 [0,2,0,0,0,0|2,0,0]=4 2020 B8R0.7 O=S(O)COCCCS beb0163d74ad014150e5e05594464f98 [0,2,0,0,0,0|2,0,0]=4 2021 B8R0.7 O=[N+]([O-])COCCCF 0355b17e3672be8bcafdf15526afacb9 [0,2,0,0,0,0|2,0,0]=4 2022 B8R0.7 O=[N+]([O-])COCCCS 52c4280f786f46b5812ccfcc08a8ba20 [0,2,0,0,0,0|2,0,0]=4 2023 B8R0.21 CCCNCS(=O)(=O)C 0c5ac4b5c3470daba42966bdd3f646a9 [0,2,0,0,0,0|2,0,0]=4 2024 B8R0.21 CCCOCC(C)(C)Br f7e707d5eebdce2665b8b6688dd4f65e [0,2,0,0,0,0|1,0,1]=4 2025 B8R0.21 CCCOCC(C)(C)C 0de7a403f2c2d785211130d0d5ab5eaf [0,2,0,0,0,0|1,0,1]=4 2026 B8R0.21 CCCOCC(C)(C)F d6024d84bd0f79a9b95902b5c49f8133 [0,2,0,0,0,0|1,0,1]=4 2027 B8R0.21 CCCOCC(C)(C)O 1864f457114911e4333323706aaf3c13 [0,2,0,0,0,0|0,0,2]=4 2028 B8R0.21 CCCOCC(C)(C)S 30a0ff1bb8f3ae228fcd51ae69bedc44 [0,2,0,0,0,0|0,1,1]=4 2029 B8R0.21 CCCOCC(C)(F)F 0323124df5c474e251bc3882b704823a [0,2,0,0,0,0|1,0,1]=4 2030 B8R0.21 CCCOCS(=O)(=O)C 432b2a9bb367cc63d3832a09eed3d2d9 [0,2,0,0,0,0|1,0,0]=3 2031 B8R0.21 CCNCCS(=O)(=O)C e43bf84c2c33da0607bb89ff5a969bd7 [0,2,0,0,0,0|2,0,0]=4 2032 B8R0.21 CCOCCS(=N)(=O)C 7d172d8392597cc891bea17b5e99219f [0,2,0,0,0,0|2,0,0]=4 2033 B8R0.21 CCOCCS(=O)(=O)C 23fca17b909b52d4a7188ab3cd634626 [0,2,0,0,0,0|2,0,0]=4 2034 B8R0.21 COCOCS(=O)(=O)C 389018c297826ba21bd6fe758e19bb45 [0,2,0,0,0,0|2,0,0]=4 2035 B8R0.21 CS(=O)(=O)COCCF 194950264c413c0784e7e8221e157d23 [0,2,0,0,0,0|2,0,0]=4 2036 B8R0.21 CS(=O)(=O)COCCS be0035c2818d02224bf73cd00efb828b [0,2,0,0,0,0|2,0,0]=4 2037 B8R0.28 C/C(=C/COC(C)C)/Cl 7fe9c64c45a9d920627e606e5c16e8c0 [0,2,0,0,0,0|2,0,0]=4 2038 B8R0.28 C/C(=C/COC(C)C)/I bf083f5e2b495d1222df4302aafc9da1 [0,2,0,0,0,0|2,0,0]=4 2039 B8R0.28 C/C(=C\COC(C)C)/Cl 3d631fcefff4d6e9b8b38f0d9e660ac1 [0,2,0,0,0,0|2,0,0]=4 2040 B8R0.28 C=C(Br)COCC(=O)C 2998d15811d05ee94864f071d160f5f0 [0,2,0,0,0,0|0,0,2]=4 2041 B8R0.28 C=C(Br)COCC(C)C c1a78a7a2c4ff68938dbedaa96847100 [0,2,0,0,0,0|1,0,1]=4 2042 B8R0.28 C=C(Br)COCC(C)F b0209b846482ec13554c5f7687483f1b [0,2,0,0,0,0|1,0,1]=4 2043 B8R0.28 C=C(Br)COCC(C)S 59a4c218fcd80f88461a0ff6dd60ec46 [0,2,0,0,0,0|1,0,1]=4 2044 B8R0.28 C=C(Br)COC[C@@H](C)F f947b6703085d644911606e1fcdb6ac9 [0,2,0,0,0,0|1,0,1]=4 2045 B8R0.28 C=C(Br)COC[C@H](C)F 28761d7a3fdbf074463c72fb1bffc776 [0,2,0,0,0,0|1,0,1]=4 2046 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,2,0,0,0,0|1,0,0]=3 2047 B8R0.28 C=C(C)CCNC(C)C 743b41619695d9f1ae0496c6310ea6bc [0,2,0,0,0,0|2,0,0]=4 2048 B8R0.28 C=C(C)CCOC(C)C 69cc10ae5801e38a3d14074626c7f435 [0,2,0,0,0,0|1,0,1]=4 2049 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,2,0,0,0,0|1,0,1]=4 2050 B8R0.28 C=C(C)CNCC(C)C 67c871a24d86e1667f16c08c29255d90 [0,2,0,0,0,0|2,0,0]=4 2051 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,2,0,0,0,0|2,0,0]=4 2052 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,2,0,0,0,0|2,0,0]=4 2053 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,2,0,0,0,0|2,0,0]=4 2054 B8R0.28 C=C(C)COCC(=C)C 6b2ffa44fb984e41aa9f83d07aa00ce1 [0,2,0,0,0,0|1,0,1]=4 2055 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [0,2,0,0,0,0|0,0,1]=3 2056 B8R0.28 C=C(C)COCC(=O)N 2e0576688aeeb2ae46f807ab3429eaee [0,2,0,0,0,0|1,0,1]=4 2057 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,2,0,0,0,0|1,0,1]=4 2058 B8R0.28 C=C(C)COCC(C)C 4b7379c6d79f87e4ea0cd366985a2d99 [0,2,0,0,0,0|1,0,0]=3 2059 B8R0.28 C=C(C)COCC(C)F a795756f8a49e558cd74e3b29b74a2d5 [0,2,0,0,0,0|1,0,0]=3 2060 B8R0.28 C=C(C)COCC(C)S 662040e79d7dc5c45fcfe22fcc5b8e8f [0,2,0,0,0,0|1,0,0]=3 2061 B8R0.28 C=C(C)COCC(F)F 24607b5a3811c680138e9d85713693a4 [0,2,0,0,0,0|2,0,0]=4 2062 B8R0.28 C=C(C)COCN(C)C d03b32e0b707db0af4f8cc8a5d86f7bf [0,2,0,0,0,0|2,0,0]=4 2063 B8R0.28 C=C(C)COC[C@@H](C)F fa9677698904873ff03c9c575f62d5d5 [0,2,0,0,0,0|1,0,0]=3 2064 B8R0.28 C=C(C)COC[C@H](C)F 15d5f151204078319cecfaf717305158 [0,2,0,0,0,0|1,0,0]=3 2065 B8R0.28 C=C(Cl)COCC(=O)C ad4435b5d09240ae6535f809383ea097 [0,2,0,0,0,0|0,0,2]=4 2066 B8R0.28 C=C(Cl)COCC(C)C 184574507b3b98e3e54e734161d68e3a [0,2,0,0,0,0|1,0,1]=4 2067 B8R0.28 C=C(Cl)COCC(C)F 3672477a94dfe298e147906214194efb [0,2,0,0,0,0|1,0,1]=4 2068 B8R0.28 C=C(Cl)COCC(C)S 0cde86527f8008c2fda8216e5a450f51 [0,2,0,0,0,0|1,0,1]=4 2069 B8R0.28 C=C(Cl)COC[C@@H](C)F 45a4ba031257a3435429fea4629ead14 [0,2,0,0,0,0|1,0,1]=4 2070 B8R0.28 C=C(Cl)COC[C@H](C)F 69c1e58e6436849f5b1d73777f2da4e5 [0,2,0,0,0,0|1,0,1]=4 2071 B8R0.28 C=C(F)COCC(=O)C 3b49497466c0b1ff9d1a27fea6f908e8 [0,2,0,0,0,0|0,0,2]=4 2072 B8R0.28 C=C(F)COCC(C)C 232c1ccf078910d1e8ccc5380c172d54 [0,2,0,0,0,0|1,0,1]=4 2073 B8R0.28 C=C(F)COCC(C)F 26c6e1cb2a9d3c24cbbfecf3e07dc683 [0,2,0,0,0,0|1,0,1]=4 2074 B8R0.28 C=C(F)COCC(C)S 35fd13181a6ed68684fcd5c2a6d2b661 [0,2,0,0,0,0|1,0,1]=4 2075 B8R0.28 C=C(F)COC[C@@H](C)F 26b034ca9d303603e1f63957ade04ba6 [0,2,0,0,0,0|1,0,1]=4 2076 B8R0.28 C=C(F)COC[C@H](C)F cde0955c2f48607017b18b013ae59969 [0,2,0,0,0,0|1,0,1]=4 2077 B8R0.28 C=C(I)COCC(C)C fe07220c9926e6770dfe26662ad9f2d0 [0,2,0,0,0,0|1,0,1]=4 2078 B8R0.28 CC(=CCNC(C)C)C 4bc1ccab37d407a99a9990c7578b5199 [0,2,0,0,0,0|2,0,0]=4 2079 B8R0.28 CC(=CCOC(C)C)C e629491c9d8565cece6e7fc625997c17 [0,2,0,0,0,0|2,0,0]=4 2080 B8R0.28 CC(=CCOC(C)C)Cl a39ef05b023be2dade9da17dfad18eaf [0,2,0,0,0,0|2,0,0]=4 2081 B8R0.28 CC(=CCOC(C)C)I 01c05b5dfce2ec79ecfc68549232c0d8 [0,2,0,0,0,0|2,0,0]=4 2082 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,2,0,0,0,0|1,0,0]=3 2083 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,2,0,0,0,0|1,0,0]=3 2084 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,2,0,0,0,0|1,0,0]=3 2085 B8R0.28 CC(=O)CNCC(F)F 040d59234b7876c01745adf80e5ff725 [0,2,0,0,0,0|2,0,0]=4 2086 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,2,0,0,0,0|2,0,0]=4 2087 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,2,0,0,0,0|1,0,0]=3 2088 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,2,0,0,0,0|1,0,0]=3 2089 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [0,2,0,0,0,0|1,0,1]=4 2090 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,2,0,0,0,0|1,0,1]=4 2091 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,2,0,0,0,0|0,0,0]=2 2092 B8R0.28 CC(=O)COCC(F)F 1c8a3357ef90b18ca0f3f98579cdfed3 [0,2,0,0,0,0|1,0,0]=3 2093 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,2,0,0,0,0|1,0,0]=3 2094 B8R0.28 CC(=O)COC[N+](=O)[O-] 11dd7b7f3de37b7e5c4abf1dcb73583f [0,2,0,0,0,0|2,0,0]=4 2095 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,2,0,0,0,0|1,0,1]=4 2096 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,2,0,0,0,0|1,0,1]=4 2097 B8R0.28 CC(=O)NCCC(=S)N 80570d0c786305766e6afa5b1bb610c3 [0,2,0,0,0,0|1,0,1]=4 2098 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,2,0,0,0,0|1,0,0]=3 2099 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,2,0,0,0,0|1,0,0]=3 2100 B8R0.28 CC(=O)NCCC(F)F 4173536c2fddb4363b9de4250b8bab34 [0,2,0,0,0,0|1,0,0]=3 2101 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,2,0,0,0,0|1,0,0]=3 2102 B8R0.28 CC(=O)NCCS(=O)C f793348c68f8cf140d26df72f9958533 [0,2,0,0,0,0|1,0,0]=3 2103 B8R0.28 CC(=O)NCCS(=O)O 7023ecca400195c2464a327147893c5f [0,2,0,0,0,0|2,0,0]=4 2104 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,2,0,0,0,0|1,0,0]=3 2105 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,2,0,0,0,0|1,0,0]=3 2106 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,2,0,0,0,0|1,0,0]=3 2107 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,2,0,0,0,0|0,0,0]=2 2108 B8R0.28 CC(C)CCOC(C)C 7a47406221ef3ef784e2240c7ab399c4 [0,2,0,0,0,0|1,0,1]=4 2109 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,2,0,0,0,0|2,0,0]=4 2110 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,2,0,0,0,0|2,0,0]=4 2111 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,2,0,0,0,0|1,0,0]=3 2112 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,2,0,0,0,0|1,0,0]=3 2113 B8R0.28 CC(C)COCC(=S)N 55b2e4b0740851f871d2f97589a87dae [0,2,0,0,0,0|1,1,0]=4 2114 B8R0.28 CC(C)COCC(C)C 199edbdb51e3ed348bc1a35b4ae873c9 [0,2,0,0,0,0|1,0,1]=4 2115 B8R0.28 CC(C)COCC(C)F a66e1ec68f7e13e5c9812ea43cf4369d [0,2,0,0,0,0|1,0,1]=4 2116 B8R0.28 CC(C)COCC(C)S 6816b86f4b07b53468cd0147246ea320 [0,2,0,0,0,0|0,1,1]=4 2117 B8R0.28 CC(C)COCN(C)C 4ead049dc2c7ca6012fe2398a0b231a3 [0,2,0,0,0,0|2,0,0]=4 2118 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,2,0,0,0,0|2,0,0]=4 2119 B8R0.28 CC(C)COC[C@@H](C)F 2147fd6515da5d3b6c82536464558a58 [0,2,0,0,0,0|1,0,1]=4 2120 B8R0.28 CC(C)COC[C@H](C)F a65b66ec2a619d6bfcf57ffeb08d4ae2 [0,2,0,0,0,0|1,0,1]=4 2121 B8R0.28 CC(C)COC[N+](=O)[O-] 47f94b331a22180dd9beb857af40f67d [0,2,0,0,0,0|2,0,0]=4 2122 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,2,0,0,0,0|2,0,0]=4 2123 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,2,0,0,0,0|2,0,0]=4 2124 B8R0.28 CC(C)NCCS(=O)C 98cd73f96f71cf5f44c565cd7f7e7b57 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,2,0,0,0,0|2,0,0]=4 2127 B8R0.28 CC(C)OCCC(F)F 0fa4ff54ec28021016b55bdfaac8dfa5 [0,2,0,0,0,0|1,0,1]=4 2128 B8R0.28 CC(C)OCCN(C)C 6c602b3dc442436bc851647f33dca792 [0,2,0,0,0,0|1,0,1]=4 2129 B8R0.28 CC(C)OCCS(=O)C 9f44a2155f1463de437cc5b5f1a51c9f [0,2,0,0,0,0|1,0,1]=4 2130 B8R0.28 CC(C)OCNC(=O)N 225bdba254c9e931f9fcb99b6f0644ed [0,2,0,0,0,0|2,0,0]=4 2131 B8R0.28 CC(C)OCOC(C)C 73e1661a53af5dc1e0d8696987baddbd [0,2,0,0,0,0|1,0,1]=4 2132 B8R0.28 CC(C)OCSC(=O)N 456704dc0d4b427a59e70e240701dde0 [0,2,0,0,0,0|1,1,0]=4 2133 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,2,0,0,0,0|1,0,0]=3 2134 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,2,0,0,0,0|1,0,0]=3 2135 B8R0.28 CC(F)COCN(C)C b5eb2a04f3ed8d2861ebd68e7dcec08f [0,2,0,0,0,0|2,0,0]=4 2136 B8R0.28 CC(F)COC[N+](=O)[O-] f5fc45cd15b328585b596435993a0746 [0,2,0,0,0,0|2,0,0]=4 2137 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,2,0,0,0,0|2,0,0]=4 2138 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,2,0,0,0,0|2,0,0]=4 2139 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,2,0,0,0,0|1,0,0]=3 2140 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,2,0,0,0,0|1,0,0]=3 2141 B8R0.28 CC(S)COCN(C)C 17b89d3e620ab5277d6bd50436ddabcc [0,2,0,0,0,0|2,0,0]=4 2142 B8R0.28 CC(S)COC[N+](=O)[O-] 307ef74ffaea9bbb1ebf3534b3fd775c [0,2,0,0,0,0|2,0,0]=4 2143 B8R0.28 CN(C)COCC(=O)N 419913c96364efa4322cd65a17692db0 [0,2,0,0,0,0|2,0,0]=4 2144 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,2,0,0,0,0|2,0,0]=4 2145 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,2,0,0,0,0|1,0,0]=3 2146 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,2,0,0,0,0|1,0,0]=3 2147 B8R0.28 C[C@@H](F)COCN(C)C 651653e76d304b0e22a4bfd3a745918c [0,2,0,0,0,0|2,0,0]=4 2148 B8R0.28 C[C@@H](F)COC[N+](=O)[O-] d0bd8bb4c454a40c55d51be62ee35e19 [0,2,0,0,0,0|2,0,0]=4 2149 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,2,0,0,0,0|2,0,0]=4 2150 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,2,0,0,0,0|1,0,0]=3 2152 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,2,0,0,0,0|1,0,0]=3 2153 B8R0.28 C[C@H](F)COCN(C)C 30c28ac2c63382d77843f7d8bcfe7e41 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.28 C[C@H](F)COC[N+](=O)[O-] aa8cec53c4a801cd0614ee2440d02cbd [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,2,0,0,0,0|2,0,0]=4 2157 B8R0.28 NC(=O)COCC(F)F 1a68919610823a07c8896dac818d8351 [0,2,0,0,0,0|2,0,0]=4 2158 B8R0.28 O=C(O)COCC(F)F 9e8fe105feb56c3ab08ea5459b7002d2 [0,2,0,0,0,0|2,0,0]=4 2159 B8R0.12 CCNC(C)(C)C(=O)C cc6332268668580c950a0bb19a912075 [0,2,0,0,0,0|2,0,0]=4 2160 B8R0.15 CC(=O)N(CO)CCO acb82ab984ba21a7687fd8bef952a2a8 [0,2,0,0,0,0|2,0,0]=4 2161 B8R0.15 CCCN(CC)C(=O)C aaa318fb9f18848accdb9fbfd1cf28a8 [0,2,0,0,0,0|1,0,0]=3 2162 B8R0.15 CCN(CCCl)C(=O)C 10dbbc5db7469d566a3048f4a18456a3 [0,2,0,0,0,0|2,0,0]=4 2163 B8R0.15 CCN(CCO)C(=O)C 7d70110607468d775832ae23e9934092 [0,2,0,0,0,0|2,0,0]=4 2164 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,2,0,0,0,0|1,0,0]=3 2165 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,2,0,0,0,0|1,0,0]=3 2166 B8R0.29 CC(=O)NCC(C)(F)F 85b59edaed57293b7ea10c77927ba201 [0,2,0,0,0,0|1,0,0]=3 2167 B8R0.29 CC(=O)NCC(F)(F)F 196b1cf1b776586385ca84e5730a5634 [0,2,0,0,0,0|2,0,0]=4 2168 B8R0.29 CC(C)OCC(C)(C)Br d853854d496fd8eacf438cf1f5660d45 [0,2,0,0,0,0|1,0,1]=4 2169 B8R0.29 CC(C)OCC(C)(C)C 84196a0326636113906144c210f767a6 [0,2,0,0,0,0|1,0,1]=4 2170 B8R0.29 CC(C)OCC(C)(C)F 42c775507cda204145c2511030d9299a [0,2,0,0,0,0|1,0,1]=4 2171 B8R0.29 CC(C)OCC(C)(C)O 763475607800e74d3dd49839c449f82e [0,2,0,0,0,0|1,0,1]=4 2172 B8R0.29 CC(C)OCC(C)(C)S e0d6c628714edbccbe2495d0c004418a [0,2,0,0,0,0|1,0,1]=4 2173 B8R0.29 CC(C)OCC(C)(F)F 12543e51f47ac047b6031d46cca2b397 [0,2,0,0,0,0|1,0,1]=4 2174 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [1,0,0,1,0,0|1,0,1]=4 2175 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [1,0,0,1,0,0|1,0,1]=4 2176 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,1,0,0|1,0,0]=3 2177 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,1,0,1,0,0|2,0,0]=4 2178 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,1,0,1,0,0|1,0,0]=3 2179 B8R1.1 O=C1CN(CN1)CF f13f56dc757cd85272f424d9ac53fbce [0,1,0,1,0,0|2,0,0]=4 2180 B8R1.1 O=C1CN(CN1)CO e561a9f6a1ffe109b2b8eed70763223f [0,1,0,1,0,0|2,0,0]=4 2181 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,1,0,1,0,0|1,0,0]=3 2182 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F bc7a6eb1a99ce556c18fcaf7f0c75c37 [0,1,0,1,0,0|1,0,0]=3 2183 B8R1.20 CC(=O)N[C@H]1C[C@@H]1F 576115c90eccc628d4e941f7a7852f6c [0,1,0,1,0,0|1,0,0]=3 2184 B8R1.20 CC(=O)N[C@H]1C[C@H]1F 8cb83b6d110bbd78098fefdd41f3f45a [0,1,0,1,0,0|1,0,0]=3 2185 B8R1.34 C=C(C)CN1CCC1 19d6aea172318893485802428f6f2b52 [0,1,0,1,0,0|2,0,0]=4 2186 B8R1.34 CC(=O)NC1CCC1 46894fd3aa8761205eba8795d61a04cf [0,1,0,1,0,0|1,0,0]=3 2187 B8R1.34 CC(=O)NC1COC1 434b9f924b049f8d9fb83819938927c2 [0,1,0,1,0,0|1,0,0]=3 2188 B8R1.34 CC(C)OC1CCC1 48443e3318a1759f4b9f0cc03f7ce9f5 [0,1,0,1,0,0|1,0,1]=4 2189 B8R1.34 CC(C)OC1COC1 32a956515674200eab69d53784a53442 [0,1,0,1,0,0|1,0,1]=4 2190 B8R1.34 CC(C)OC1CSC1 0f80c8ae8ac6e64e127bfe2c23fbf2f7 [0,1,0,1,0,0|1,0,1]=4 2191 B8R1.34 NC(=O)CN1CCC1 6c3508be38699fc0f43e1dd694ce2a15 [0,1,0,1,0,0|2,0,0]=4 2192 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,1,0,1,0,0|2,0,0]=4 2193 B8R1.40 C#CC(=O)NC1CC1 da5e3817a968937fe8ebc526d822a2bb [0,1,0,1,0,0|1,0,1]=4 2194 B8R1.40 C#CC(C)OC1CC1 9da6fe280742a4ee58427f842544562c [0,1,0,1,0,0|1,0,1]=4 2195 B8R1.40 C#C[C@@H](C)OC1CC1 9b2560a7d1313ccaa7838aa88397a05a [0,1,0,1,0,0|1,0,1]=4 2196 B8R1.40 C#C[C@H](C)OC1CC1 6541f6d5175131766636e59fcc94e76b [0,1,0,1,0,0|1,0,1]=4 2197 B8R1.40 C=C(C=O)OC1CC1 b9ffb3a59a8a9a3920997cae2c377c7b [0,1,0,1,0,0|0,0,1]=3 2198 B8R1.40 C=CC(=O)NC1CC1 ae1867ae5f1dd1acb685caa201da262d [0,1,0,1,0,0|1,0,1]=4 2199 B8R1.40 C=CC(C)OC1CC1 c4555d3282a816c367083c1a03c48a68 [0,1,0,1,0,0|1,0,1]=4 2200 B8R1.40 C=C[C@H](C)OC1CC1 aee4e5bffcd126c9d1f0f3e9ad16a764 [0,1,0,1,0,0|1,0,1]=4 2201 B8R1.40 CC(C#N)OC1CC1 efe85b35f8ee33ffc8404017a9c60c94 [0,1,0,1,0,0|1,0,1]=4 2202 B8R1.40 CC(C=O)NC1CC1 691e0889ed251bf8aa7c3b68c5df0349 [0,1,0,1,0,0|1,0,1]=4 2203 B8R1.40 CC(C=O)OC1CC1 23105afb975e278e4885544692b945fa [0,1,0,1,0,0|0,0,1]=3 2204 B8R1.40 CC(CF)OC1CC1 9d22c40342837e285679ed10b765ed68 [0,1,0,1,0,0|1,0,1]=4 2205 B8R1.40 CC(CS)OC1CC1 1cc1fbd573f5592ba9ac6a9c397c7ffe [0,1,0,1,0,0|0,1,1]=4 2206 B8R1.40 CCC(=O)NC1CC1 bc1edd04b4e58cbfa3a5f5c726ebfe6b [0,1,0,1,0,0|1,0,0]=3 2207 B8R1.40 CCC(C)OC1CC1 68ed2fdfe0b177445d70e3d5225b65a4 [0,1,0,1,0,0|1,0,1]=4 2208 B8R1.40 CC[C@@H](C)OC1CC1 c589c35c96af6e1ebe99b6ae61ff931b [0,1,0,1,0,0|1,0,1]=4 2209 B8R1.40 CC[C@H](C)OC1CC1 382e57974f1b3878c3e0abed45ea3f80 [0,1,0,1,0,0|1,0,1]=4 2210 B8R1.40 CN(C=O)CC1CC1 3ebaae3355b02d7a76d4d660673266ff [0,1,0,1,0,0|2,0,0]=4 2211 B8R1.40 C[C@H](C=O)NC1CC1 b2dc22049a6d22620bf79363de94a32e [0,1,0,1,0,0|1,0,1]=4 2212 B8R1.40 C[C@H](C=O)OC1CC1 0bd45590cb6813e5f06145925c580d8f [0,1,0,1,0,0|0,0,1]=3 2213 B8R1.40 C[C@H](CS)OC1CC1 50918c01cc5c7ddcaaabeee7f9e80488 [0,1,0,1,0,0|0,1,1]=4 2214 B8R1.40 O=C(CF)NC1CC1 9ccf83dad7006c7283aead2cfdfd9cfa [0,1,0,1,0,0|1,0,0]=3 2215 B8R1.40 O=C(CO)NC1CC1 bb096758b55cfb0505bd2d10961bc923 [0,1,0,1,0,0|1,0,0]=3 2216 B8R1.40 O=C(CS)NC1CC1 47ed3dec057db245af795d634c1f00f4 [0,1,0,1,0,0|1,0,0]=3 2217 B8R1.40 O=CC(=O)NC1CC1 288abfcb7bdb635fa8f12884916c723b [0,1,0,1,0,0|1,0,1]=4 2218 B8R1.9 C=C1CC1COCC e60a01e41c746d08a053302fe8867db6 [0,1,0,1,0,0|2,0,0]=4 2219 B8R1.10 CCCOC1CCC1 56704029ca064ce456cbec81788df6b2 [0,1,0,1,0,0|1,0,1]=4 2220 B8R1.10 CCCOC1COC1 cec208fe33e8a6631cedc1d889971cbc [0,1,0,1,0,0|0,0,2]=4 2221 B8R1.10 CCCOC1CSC1 10378f1ff5d1e14a6df527902f8b7380 [0,1,0,1,0,0|0,1,1]=4 2222 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,1,0,1,0,0|2,0,0]=4 2223 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,1,0,1,0,0|2,0,0]=4 2224 B8R1.38 C#CC(=O)N1CCC1 ee88789ac1776648008850b2a3fc2fcb [0,1,0,1,0,0|1,0,1]=4 2225 B8R1.38 C=CC(=O)N1CCC1 d0139f7b17a74aad2f7c1656c4595cf8 [0,1,0,1,0,0|1,0,1]=4 2226 B8R1.38 CC(C=O)N1CCC1 b3b552e7b160cd5acb51c776f72f7634 [0,1,0,1,0,0|1,0,1]=4 2227 B8R1.38 CCC(=O)N1CCC1 d52503cf4cfc194127f664b5bcf57565 [0,1,0,1,0,0|1,0,0]=3 2228 B8R1.38 C[C@H](C=O)N1CCC1 92650f4896a859e9500741deb7ae1705 [0,1,0,1,0,0|1,0,1]=4 2229 B8R1.38 O=C(CF)N1CCC1 e1631cac567168a725b0163e106fbfc3 [0,1,0,1,0,0|1,0,0]=3 2230 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,1,0,1,0,0|1,0,0]=3 2231 B8R1.38 O=C(CS)N1CCC1 483ef26b984ed24bd38f07147cc524a3 [0,1,0,1,0,0|1,0,0]=3 2232 B8R1.38 O=CC(=O)N1CCC1 3cd44a972429668a2e301e83de6705a9 [0,1,0,1,0,0|1,0,1]=4 2233 B8R1.47 CCC1CN(C1)C=O 9645ce44596bcd4aa700308ce0a15fd2 [0,1,0,1,0,0|2,0,0]=4 2234 B8R1.6 CCOC1CC(=O)C1 7245371a51b98874574252c09e474e49 [0,1,0,1,0,0|1,0,0]=3 2235 B8R1.6 O=C1CC(C1)OCF c33823c82929be54a27457e340273af2 [0,1,0,1,0,0|2,0,0]=4 2236 B8R1.7 CC(=O)N1CC=CC1 e11b9582e24204de984b55633fe5316e [0,1,0,1,0,0|1,0,1]=4 2237 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [0,1,0,1,0,0|1,0,0]=3 2238 B8R1.35 C=C(Br)COC1CC1 bd8b8133c8c91a86915d922aaf12dcff [0,1,0,1,0,0|1,0,1]=4 2239 B8R1.35 C=C(C)CNC1CC1 d7b88e809441d579b0399cecfd2ac93a [0,1,0,1,0,0|2,0,0]=4 2240 B8R1.35 C=C(C)COC1CC1 63ffc7725ab16da355947b48ca968597 [0,1,0,1,0,0|1,0,0]=3 2241 B8R1.35 C=C(Cl)COC1CC1 1701d80572247b9c5e9687be7dc89d21 [0,1,0,1,0,0|1,0,1]=4 2242 B8R1.35 C=C(F)COC1CC1 f8b7a28a6dcb07d7989406dc0bbbb443 [0,1,0,1,0,0|1,0,1]=4 2243 B8R1.35 C=C(I)COC1CC1 317defbe769eafa0fb3cbdc7fc999360 [0,1,0,1,0,0|1,0,1]=4 2244 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,1,0,1,0,0|1,0,0]=3 2245 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,1,0,1,0,0|0,0,0]=2 2246 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,1,0,1,0,0|1,0,0]=3 2247 B8R1.35 CC(C)COC1CC1 1fe1e9367b03708520dce71a6ebef71b [0,1,0,1,0,0|1,0,1]=4 2248 B8R1.35 CC(C)OCC1CC1 09d7d0d8c16ec45f83333ea20ffa111c [0,1,0,1,0,0|1,0,1]=4 2249 B8R1.35 CC(F)COC1CC1 4e962253efcbe1f234e3e1f91286b176 [0,1,0,1,0,0|1,0,1]=4 2250 B8R1.35 CC(S)COC1CC1 29ec0464d9544f5343e000cb5982dac9 [0,1,0,1,0,0|0,1,1]=4 2251 B8R1.35 CN(C)COC1CC1 bea2e970ff94540b7b56aa8a3f64a293 [0,1,0,1,0,0|2,0,0]=4 2252 B8R1.35 C[C@@H](F)COC1CC1 26a139c9608d5eaf7ebb9ef9ded229aa [0,1,0,1,0,0|1,0,1]=4 2253 B8R1.35 C[C@H](F)COC1CC1 80fe49ae5e6bb0a559ec2c635a5da7ee [0,1,0,1,0,0|1,0,1]=4 2254 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,1,0,1,0,0|2,0,0]=4 2255 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,1,0,1,0,0|1,0,0]=3 2256 B8R1.35 NC(=S)COC1CC1 6be25ed37cf29dfd01fc062a3dfbdc9f [0,1,0,1,0,0|1,1,0]=4 2257 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,1,0,1,0,0|2,0,0]=4 2258 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,1,0,1,0,0|1,0,0]=3 2259 B8R1.35 O=S(O)COC1CC1 85bbc60ec3a8ee46735b8745b51b860d [0,1,0,1,0,0|2,0,0]=4 2260 B8R1.35 O=[N+]([O-])COC1CC1 1c250e52285322e206d852dff75223c7 [0,1,0,1,0,0|2,0,0]=4 2261 B8R1.36 CCCCOC1CC1 b14c6fcb6c68d146170e866704fcb560 [0,1,0,1,0,0|1,0,1]=4 2262 B8R1.36 CCCOCC1CC1 97e988fcebd27b4b9691b615e5b007d8 [0,1,0,1,0,0|1,0,1]=4 2263 B8R1.36 CCOCOC1CC1 bce4418f9eac059bbaa462d4f904ef31 [0,1,0,1,0,0|1,0,1]=4 2264 B8R1.36 COCCOC1CC1 bd93b00ba0625a0a13902f72530e30b8 [0,1,0,1,0,0|1,0,1]=4 2265 B8R1.36 CSCCOC1CC1 e0981e8f108a928e73043af2d2e56c46 [0,1,0,1,0,0|1,0,1]=4 2266 B8R1.36 FCCCOC1CC1 bb339c263ecd231d95ac2857b20ce9e1 [0,1,0,1,0,0|1,0,1]=4 2267 B8R1.36 SCCCOC1CC1 1939a9925ba22e18c2a17bb309b3e238 [0,1,0,1,0,0|1,0,1]=4 2268 B8R1.23 CC(=O)N1CC(C1)F cba0abc01d5766c34fe5531513946933 [0,1,0,1,0,0|1,0,0]=3 2269 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,1,0,1,0,0|1,0,0]=3 2270 B8R1.54 CC(=O)N(C)C1CC1 61fc6600543372561e48e4dacdc6032f [0,1,0,1,0,0|1,0,0]=3 2271 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,1,0,1,0,0|1,0,0]=3 2272 B8R2.24 C1CC1OC2CC2 8ec265131ac956023df74f91e7aedc8c [0,0,0,2,0,0|1,0,1]=4