0 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,0,0,0,0,0|4,0,0]=4 9 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,0,0,0,0,0|4,0,0]=4 10 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,0,0,0,0,0|4,0,0]=4 11 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|3,0,0]=4 21 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|2,0,0]=3 25 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,0,0,0,0|3,0,0]=4 29 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,0,0,0,0|3,0,0]=4 33 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|1,0,1]=3 34 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [0,1,0,0,0,0|3,0,0]=4 37 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.3 C#CC(=O)NCCBr 4e7606b090d079dad338fcb3b3531ca6 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.3 C#CC(=O)NCCF 0890b45106e9e8df323c27183e746605 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.3 C#CC(=O)NCCI b79a2019875390d416fe2aefcbe1af43 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,1,0,0,0,0|1,0,2]=4 47 B7R0.3 C=C(C#N)COCC 0c840f773075998533681b448d00e61c [0,1,0,0,0,0|3,0,0]=4 48 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,1,0,0,0,0|3,0,0]=4 49 B7R0.3 C=C(CNC#N)OC d6eb2dac09980e5fa7fc46fab00d6b72 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,1,0,0,0,0|1,0,1]=3 52 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,1,0,0,0,0|2,0,1]=4 53 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.3 CCC(=O)CNC#N 5c4d1d2cbca480d29fea538bd5160350 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,1,0,0,0,0|2,0,0]=3 58 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,0,0,0,0|2,0,0]=3 63 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,1,0,0,0,0|2,0,0]=3 66 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,0,0,0,0|2,0,0]=3 69 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,0,0,0,0|2,0,1]=4 75 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,1,0,0,0,0|1,0,0]=2 82 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,1,0,0,0,0|2,0,0]=3 83 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,1,0,0,0,0|0,0,0]=1 84 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,1,0,0,0,0|2,0,1]=4 87 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,1,0,0,0,0|1,0,1]=3 89 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,1,0,0,0,0|1,0,0]=2 93 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,1,0,0,0,0|0,0,0]=1 95 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,1,0,0,0,0|2,0,1]=4 96 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,1,0,0,0,0|2,0,1]=4 99 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,1,0,0,0,0|1,0,1]=3 102 B7R0.3 CNC(=O)CNC#N 7ba4abe3fad3b11746e82f87bf46d0a1 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,1,0,0,0,0|2,0,1]=4 104 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,1,0,0,0,0|2,0,0]=3 105 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,1,0,0,0,0|2,0,0]=3 106 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.3 COC(=O)CNC#N 05f4cf7e93aff5d764fa5ad76ede0782 [0,1,0,0,0,0|1,0,1]=3 108 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,1,0,0,0,0|1,0,0]=2 110 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.3 CO[C@@H](C)CNCF d565ed3e1243bb1223e9664c2fc97af8 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [0,1,0,0,0,0|2,0,1]=4 115 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.3 CO[C@H](C)CNCF ceaa416f9fa3f4676b4c6f05e53da533 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.3 O=C(CNCF)NO 56dda9ea00f77e2491394a26c36ddff8 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [0,1,0,0,0,0|3,0,0]=4 126 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,1,0,0,0,0|3,0,0]=4 127 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,1,0,0,0,0|3,0,0]=4 128 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,1,0,0,0,0|3,0,0]=4 129 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,1,0,0,0,0|3,0,0]=4 133 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,1,0,0,0,0|3,0,0]=4 135 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,1,0,0,0,0|3,0,0]=4 138 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,1,0,0,0,0|3,0,0]=4 140 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,1,0,0,0,0|3,0,0]=4 142 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [0,1,0,0,0,0|3,0,0]=4 143 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,1,0,0,0,0|0,1,0]=2 145 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [0,1,0,0,0,0|0,1,0]=2 146 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,1,0,0,0,0|2,0,1]=4 147 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,1,0,0,0,0|2,0,1]=4 148 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,1,0,0,0,0|2,0,1]=4 149 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,1,0,0,0,0|1,0,1]=3 150 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,1,0,0,0,0|1,0,1]=3 151 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,1,0,0,0,0|3,0,0]=4 152 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [0,1,0,0,0,0|3,0,0]=4 153 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [0,1,0,0,0,0|2,1,0]=4 157 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,1,0,0,0,0|1,0,1]=3 158 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,1,0,0,0,0|1,0,1]=3 159 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,1,0,0,0,0|2,0,1]=4 160 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,1,0,0,0,0|1,0,1]=3 163 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,1,0,0,0,0|1,0,1]=3 164 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,1,0,0,0,0|2,0,1]=4 166 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,1,0,0,0,0|2,0,1]=4 169 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.7 COCC(=O)NC#N e1a8b8d591fdb060371b5f9937269544 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,1,0,0,0,0|2,0,1]=4 173 B7R0.7 COCN(C)CCF 462c4168e49a87fc94c059780d3b18c2 [0,1,0,0,0,0|3,0,0]=4 174 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,1,0,0,0,0|3,0,0]=4 175 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.7 CSCC(=O)NC#N b05a488e02281b18583d705ae1321716 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.7 N#CNC(=O)CCF 2d38b0a901d33b11182071085ffedd88 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.7 N#CNC(=O)CCO 21159348c5eb316e27f10d66411c699d [0,1,0,0,0,0|2,0,1]=4 181 B7R0.7 N#CNC(=O)CCS 4c8d70dcb6c079601a678239569cd2dc [0,1,0,0,0,0|2,0,1]=4 182 B7R0.10 C#CC(=O)N(C)CC 4f67029623c6e5ee152bff61a129616e [0,1,0,0,0,0|2,0,1]=4 183 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,1,0,0,0,0|2,0,0]=3 185 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [0,1,0,0,0,0|3,0,0]=4 186 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,1,0,0,0,0|3,0,0]=4 187 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,1,0,0,0,0|3,0,0]=4 189 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [0,1,0,0,0,0|2,0,0]=3 191 B7R0.12 CCCN(CC)CC cee9a7f56e1e423b5ee592f89dcd5a79 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.12 CCCN(CC)CF bb959a7f19e3a674eec89c0630b059f9 [0,1,0,0,0,0|3,0,0]=4 193 B7R0.12 CCCN(CC)CO 0db6153d76ded508e5655e9e69753d11 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.12 CCN(C=O)CCCl 03512ce3018e8845973ab6d439faef81 [0,1,0,0,0,0|3,0,0]=4 195 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [0,1,0,0,0,0|3,0,0]=4 196 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.22 CCN(C)C1CC1 476aa428dda8fdb06e16725a89d0042d [0,0,0,1,0,0|3,0,0]=4 198 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [1,1,0,0,0,0|0,0,2]=4 200 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|1,0,0]=3 203 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [1,1,0,0,0,0|2,0,0]=4 204 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [1,1,0,0,0,0|2,0,0]=4 207 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,1,0,0,0,0|1,0,1]=4 209 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|1,0,0]=3 213 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,1,0,0,0,0|1,0,0]=3 217 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,1,0,0,0,0|1,0,0]=3 218 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,1,0,0,0,0|1,0,0]=3 220 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|0,0,0]=2 221 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|0,0,0]=2 224 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,1,0,0,0,0|1,0,0]=3 225 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|0,0,0]=2 226 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,1,0,0,0,0|1,0,1]=4 227 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,1,0,0,0,0|0,0,2]=4 228 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,1,0,0,0,0|0,0,2]=4 229 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,1,0,0,0,0|0,0,2]=4 230 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,1,0,0,0,0|0,0,0]=2 231 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,1,0,0,0,0|1,0,0]=3 232 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|0,0,0]=2 233 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,1,0,0,0,0|1,1,0]=4 234 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,1,0,0,0,0|1,0,1]=4 235 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,1,0,0,0,0|0,1,1]=4 237 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,1,0,0,0,0|1,0,1]=4 240 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,1,0,0,0,0|2,0,0]=4 242 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,1,0,0,0,0|2,0,0]=4 243 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,1,0,0,0,0|2,0,0]=4 244 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,1,0,0,0,0|1,0,0]=3 245 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,1,0,0,0,0|1,0,0]=3 251 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [1,1,0,0,0,0|2,0,0]=4 252 B6R0.6 CC#CCNCC a6f1b76f7ded3d3d75d35a122acc0b8f [1,1,0,0,0,0|1,0,1]=4 253 B6R0.6 CC#CCOCC 150599371f7a5020048fdfb73583470c [1,1,0,0,0,0|1,0,1]=4 254 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,1,0,0,0,0|1,0,0]=3 255 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [1,1,0,0,0,0|2,0,0]=4 259 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,1,0,0,0,0|1,0,1]=4 261 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,1,0,0,0,0|0,0,1]=3 263 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,1,0,0,0,0|0,0,1]=3 264 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,1,0,0,0,0|2,0,0]=4 265 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,1,0,0,0,0|1,0,1]=4 266 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,1,0,0,0,0|0,0,1]=3 271 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,1,0,0,0,0|0,1,1]=4 272 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,1,0,0,0,0|1,0,1]=4 273 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,1,0,0,0,0|2,0,0]=4 274 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,1,0,0,0,0|0,0,1]=3 276 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,1,0,0,0,0|0,1,1]=4 277 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,1,0,0,0,0|0,0,1]=3 280 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [1,1,0,0,0,0|1,0,1]=4 281 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,1,0,0,0,0|0,1,1]=4 282 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,1,0,0,0,0|1,0,1]=4 285 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,1,0,0,0,0|0,0,1]=3 287 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,1,0,0,0,0|0,1,1]=4 288 B6R0.6 COCCNCF e77dc04900c9c99d5994a5d30132520a [1,1,0,0,0,0|1,0,1]=4 289 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [1,1,0,0,0,0|1,0,1]=4 290 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [1,1,0,0,0,0|1,0,1]=4 294 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [1,1,0,0,0,0|1,0,1]=4 296 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [1,1,0,0,0,0|1,0,1]=4 297 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [1,1,0,0,0,0|1,0,1]=4 299 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [1,1,0,0,0,0|1,0,1]=4 303 B8R0.2 C=C(C)C(=O)N(C)CC 6ad58cb6364f07a649e141535260901d [0,2,0,0,0,0|2,0,0]=4 304 B8R0.2 CCC(=O)N(C)C(C)C 3feb699597734e703dbc4fe539ecb6bb [0,2,0,0,0,0|2,0,0]=4 305 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [0,2,0,0,0,0|2,0,0]=4 306 B8R0.2 CCN(C)C(=O)C(C)F 19b9ff8d46076997b028bc3c05129e24 [0,2,0,0,0,0|2,0,0]=4 307 B8R0.2 CCN(C)C(=O)C(C)O a5352a247e4fbdbde43951bdd76212cf [0,2,0,0,0,0|2,0,0]=4 308 B8R0.2 CCN(C)C(=O)C(C)S 90f65a1dd234927c177aa83dd88742df [0,2,0,0,0,0|2,0,0]=4 309 B8R0.2 CCN(C)C(=O)[C@@H](C)F 98c85f2c98da43a1b0d0fc26fa39c6bb [0,2,0,0,0,0|2,0,0]=4 310 B8R0.2 CCN(C)C(=O)[C@@H](C)O c93f85b1b0b9a2ae0efa6c73e0a102c2 [0,2,0,0,0,0|2,0,0]=4 311 B8R0.2 CCN(C)C(=O)[C@H](C)F aea23cf9051deae31a359b32bf8bf1d7 [0,2,0,0,0,0|2,0,0]=4 312 B8R0.2 CCN(C)C(=O)[C@H](C)O fffa58851af97e9d3a93b166b97ca289 [0,2,0,0,0,0|2,0,0]=4 313 B8R0.5 CC(C)CC(=O)NC#N e0f6c1c62407c36da220e653124131f5 [0,2,0,0,0,0|1,0,1]=4 314 B8R0.5 CC(C)CC(C)OCF df3d77bcb70b379ba02111d4ab191925 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.5 CC(C)C[C@@H](C)OCF f59d7cb8778da0cafb571f6f713e384e [0,2,0,0,0,0|1,0,1]=4 316 B8R0.5 CC(C)C[C@H](C)OCF 2266bd706cca147fe8369e224957217a [0,2,0,0,0,0|1,0,1]=4 317 B8R0.5 CCCC(=S)OC(C)C 79ff90d7e7d68c5664ea5acd6b8154a5 [0,2,0,0,0,0|0,1,0]=3 318 B8R0.5 CCCC(C)OC(C)C af28c67907ad8e9b80a1443e1881a09f [0,2,0,0,0,0|1,0,1]=4 319 B8R0.5 CCC[C@@H](C)OC(C)C 38af500727caf5ac56759d6ba34645ea [0,2,0,0,0,0|1,0,1]=4 320 B8R0.5 CCC[C@H](C)OC(C)C 39fe789680e7206034f6b275f2ba377c [0,2,0,0,0,0|1,0,1]=4 321 B8R0.5 CCOC(C)CC(C)C 30e2f8e558cfdda4b507d2297dd2dc70 [0,2,0,0,0,0|1,0,1]=4 322 B8R0.5 CCO[C@@H](C)CC(C)C 1e2bdc5c56411fd3cd17ac1c2858063c [0,2,0,0,0,0|1,0,1]=4 323 B8R0.5 CCO[C@H](C)CC(C)C 914881db7ee4a9dab17d292ad412afd8 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.5 COCN(C)CC(C)C ccfc06333099a194fdf9a9972dfaab0f [0,2,0,0,0,0|2,0,0]=4 325 B8R0.5 COCN(C)CC(C)O 236ef8cf66ea95220e886cd11f898eee [0,2,0,0,0,0|2,0,0]=4 326 B8R0.5 COCN(C)C[C@H](C)O d0cec2a0e9e49d3fd200a1f1b3460073 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.16 CCN(C=O)CC(C)C a0d4f7e2b09765b708dd4f00ebe2d340 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.16 CCN(C=O)CC(C)O 2437be87a2e81f295f09928becec40c6 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.16 CCN(C=O)C[C@H](C)O 1f7ddfd4388d4f78b5345d6a6e9121a1 [0,2,0,0,0,0|2,0,0]=4 330 B8R0.19 C#CC(=O)NC(C)CC 61d9b7eb83f4ff7eb7086f9d7e1ae285 [0,2,0,0,0,0|1,0,1]=4 331 B8R0.19 C#CC(=O)N[C@@H](C)CC e4430e1df3d27e1f60bfd6ac8cb2107b [0,2,0,0,0,0|1,0,1]=4 332 B8R0.19 C#CC(=O)N[C@H](C)CC 4b809239b5091186dfbcfe36ab818a64 [0,2,0,0,0,0|1,0,1]=4 333 B8R0.19 C#CC(C)NC(=O)CC b3d62cd02b21ed8b92bc6b4f40f79ec6 [0,2,0,0,0,0|2,0,0]=4 334 B8R0.19 C#C[C@@H](C)NC(=O)CC 4b8ef19bb31b8f4e485e026e78b7f5f3 [0,2,0,0,0,0|2,0,0]=4 335 B8R0.19 C#C[C@H](C)NC(=O)CC 82b030abf3ba07e5b870033df09c7669 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.19 C=C(CC)CN(C)CC a5edac56bd516c3e08abe80274b2ef4e [0,2,0,0,0,0|2,0,0]=4 337 B8R0.19 C=C(CN(C)CC)OC ae7aed41eaced6b8d6d4f4656a97dade [0,2,0,0,0,0|1,0,0]=3 338 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,2,0,0,0,0|1,0,1]=4 340 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.19 C=CC(C)NC(=O)CC 839432ec7d3f0e80c7881e3c8ea6f7fd [0,2,0,0,0,0|2,0,0]=4 342 B8R0.19 CCC(=O)CN(C)CC 5ff470863ab78226aff558b26acaa6bb [0,2,0,0,0,0|1,0,0]=3 343 B8R0.19 CCC(=O)NC(C)C#N 12108e2444e1ebb9139d2cf557129000 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,2,0,0,0,0|1,0,0]=3 345 B8R0.19 CCC(=O)NC(C)CO 31f73ee0dabaaa5a17015c929f45f2fd [0,2,0,0,0,0|2,0,0]=4 346 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,2,0,0,0,0|1,0,0]=3 347 B8R0.19 CCC(=O)N[C@@H](C)CO a3bcc6db0615cc40ae6703cd20d3dc45 [0,2,0,0,0,0|2,0,0]=4 348 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,2,0,0,0,0|1,0,0]=3 349 B8R0.19 CCC(=O)N[C@H](C)CO 3449d5b097ace6785d86df28155e11e4 [0,2,0,0,0,0|2,0,0]=4 350 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,2,0,0,0,0|2,0,0]=4 351 B8R0.19 CCC(C)NC(=O)CF be99e999222b335d1cb75f36b6d9cd45 [0,2,0,0,0,0|2,0,0]=4 352 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.19 CCC(C)NC(=O)CS 2bbecd1472ce4a0c07af9c3693119c31 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,2,0,0,0,0|1,0,0]=3 356 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,2,0,0,0,0|0,0,0]=2 357 B8R0.19 CCN(C)CC(C)OC 377b6e41a65d04757b988ceba2b54f82 [0,2,0,0,0,0|1,0,1]=4 358 B8R0.19 CCN(C)C[C@@H](C)OC 423ec57342e946c8b4839b0ec5409baa [0,2,0,0,0,0|1,0,1]=4 359 B8R0.19 CCN(C)C[C@H](C)OC fbb444e22eeeab9bc96df09d063788d3 [0,2,0,0,0,0|1,0,1]=4 360 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.19 CC[C@@H](C)NC(=O)CF 972ccf96eab46daa18ae78e952074e33 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.19 CC[C@@H](C)NC(=O)CS 6576ffdd87c3ad0b66c846698b8c9218 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.19 CC[C@H](C)NC(=O)CF 4effc7db6392db0aa027693c9704097d [0,2,0,0,0,0|2,0,0]=4 366 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,2,0,0,0,0|2,0,0]=4 367 B8R0.19 CC[C@H](C)NC(=O)CS 035bd81fae7cc99474ceaac0a841b71d [0,2,0,0,0,0|2,0,0]=4 368 B8R0.19 CNC(=O)CN(C)C=O 182361f0200c9026118bb2e6708907e3 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.19 CNC(=O)CN(C)CF c4335c7de1ec7a5bdf4619e54da80079 [0,2,0,0,0,0|2,0,0]=4 370 B8R0.19 CNC(=O)CN(C)CO 5e5aacc592b2dd5b7a781dd38b53445b [0,2,0,0,0,0|2,0,0]=4 371 B8R0.19 COC(=O)CN(C)C=O 943cc5729a7d321dfa7dcb2f4fa86c17 [0,2,0,0,0,0|1,0,0]=3 372 B8R0.19 COC(=O)CN(C)CF 315bad3552c61e9bc012d524d408a643 [0,2,0,0,0,0|1,0,0]=3 373 B8R0.19 COC(=O)CN(C)CO ead5047548ab9512878dca6e9fed3e38 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.24 CCC(=O)NC(C)(C)C 26a2f5ebe28b3d4c326c1e70f6823a38 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.1 C#CCC(=O)NCCC 02e18d00f6cac127c3ba925ff7cc6fd1 [0,2,0,0,0,0|1,0,1]=4 376 B8R0.1 C#CCNC(=O)CCC 988fe137497a657fd02a96648cfc31de [0,2,0,0,0,0|1,0,0]=3 377 B8R0.1 C#CCNC(=O)CCF e0694077da982de0e89a1640dd836e88 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.1 C#CCNC(=O)CCO 96fe99b94bbe3f359921b98b2650505f [0,2,0,0,0,0|2,0,0]=4 379 B8R0.1 C#CCNC(=O)CCS 2ccb181d20fbfebe9499fb936abe7e8c [0,2,0,0,0,0|2,0,0]=4 380 B8R0.1 C#CCNC(=O)COC 0339c52ff36ce70a96ce9a88fff2f8c4 [0,2,0,0,0,0|0,0,2]=4 381 B8R0.1 C#CCNC(=O)CSC 87e0bffb35588c26836ab5c0ad0adb52 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.1 C#CCOC(=S)CCC 666ad0aff10dc8dec2740f151b5514b6 [0,2,0,0,0,0|0,1,0]=3 383 B8R0.1 C#CCOC(C)CCC 292a9da26dd6fef6b77c2dfe0aefdcd5 [0,2,0,0,0,0|1,0,1]=4 384 B8R0.1 C#CCO[C@@H](C)CCC 59461e1b1d7a142b510d19a0b98bf0f8 [0,2,0,0,0,0|1,0,1]=4 385 B8R0.1 C#CCO[C@H](C)CCC 2bb84b902e1ccc7a64fd1f85c25c42f1 [0,2,0,0,0,0|1,0,1]=4 386 B8R0.1 C/C=C/C(=O)NCCBr 1a948754dff20d168e9361d04d66258d [0,2,0,0,0,0|2,0,0]=4 387 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.1 C/C=C/C(=O)NCCF f849769f8bdb582b93b497aea7baa092 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.1 C/C=C/C(=O)NCCI 52e8106e222480d032713c2c859846aa [0,2,0,0,0,0|2,0,0]=4 390 B8R0.1 C/C=C/C(=O)NCCO a9d7e927df580e87cdbec0136302f443 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.1 C/C=C/C(=O)NCCS 5eb021a8ec06b5b9d6208abe4a08327e [0,2,0,0,0,0|2,0,0]=4 392 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,2,0,0,0,0|1,0,1]=4 393 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [0,2,0,0,0,0|0,1,0]=3 394 B8R0.1 C=CCOC(C)CCC fbdc613bc45f6b8caccc8ec8a52f0c2d [0,2,0,0,0,0|1,0,1]=4 395 B8R0.1 C=CCO[C@@H](C)CCC 709aabbb80656eae64c78055179b3126 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.1 C=CCO[C@H](C)CCC 0d000bc310de5de3a03499af588f23c5 [0,2,0,0,0,0|1,0,1]=4 397 B8R0.1 CC#CC(=O)NCCBr 88fb977d43b76e3334f184344ba493ef [0,2,0,0,0,0|2,0,0]=4 398 B8R0.1 CC#CC(=O)NCCC f3929637650271102a5b6c505641e7e8 [0,2,0,0,0,0|1,0,0]=3 399 B8R0.1 CC#CC(=O)NCCF 1227adeb43ec7455199bd22620e5253c [0,2,0,0,0,0|2,0,0]=4 400 B8R0.1 CC#CC(=O)NCCI dbbc6bd9b3b670571c9a53642d339035 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.1 CC#CC(=O)NCCO f885362aa6b004ac92e1add94f791e9e [0,2,0,0,0,0|2,0,0]=4 402 B8R0.1 CC#CC(=O)NCCS 40eb9ceaf9e9d627793690711560ba71 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.1 CCCC(=O)CNC#N e78fa428bf173d6f49d20b0b4ac2f117 [0,2,0,0,0,0|1,0,1]=4 404 B8R0.1 CCCC(=O)NCC#N 97e0c91f0cf4974f9847be1f27d8b9ac [0,2,0,0,0,0|1,0,0]=3 405 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [0,2,0,0,0,0|1,0,0]=3 407 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [0,2,0,0,0,0|1,0,0]=3 408 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [0,2,0,0,0,0|1,0,0]=3 410 B8R0.1 CCCC(=S)OCC#N ff06a334ddac1bbecb7d6c22783d4308 [0,2,0,0,0,0|0,1,0]=3 411 B8R0.1 CCCC(=S)OCC=O ee4851bc3a15d19c33e510859df38ec8 [0,2,0,0,0,0|0,1,0]=3 412 B8R0.1 CCCC(=S)OCCF 4a3f66968fafe65a13eab591dccc8c9f [0,2,0,0,0,0|0,1,0]=3 413 B8R0.1 CCCC(=S)OCCS 7161c28940ff0dc6e0b2d32d8bc2d5dc [0,2,0,0,0,0|0,1,0]=3 414 B8R0.1 CCCC(=S)OCOC d7c66aa0be93e71a0e10702c93e66ce1 [0,2,0,0,0,0|0,1,0]=3 415 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,2,0,0,0,0|0,1,0]=3 416 B8R0.1 CCCC(C)COCC 93903632c96b35063d92ad4a88f1870f [0,2,0,0,0,0|1,0,1]=4 417 B8R0.1 CCCC(C)COCF 93c3ddfe52dd775edf5ae50e46d5413c [0,2,0,0,0,0|1,0,1]=4 418 B8R0.1 CCCC(C)NCOC 7593556ba3b3358786240e76b9dc1cde [0,2,0,0,0,0|1,0,1]=4 419 B8R0.1 CCCC(C)OCC#N 4085f27291709d3acf54fc2da94130ba [0,2,0,0,0,0|1,0,1]=4 420 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.1 CCCC(C)OCCF 51dd4182d40ab8df7fc597096aea8427 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.1 CCCC(C)OCCS 69475e4324fe3c939d55cdf50e8476b5 [0,2,0,0,0,0|1,0,1]=4 423 B8R0.1 CCCC(C)OCOC 7c2918bfa8ffaddb181d24a90d0ac5c3 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.1 CCCC(C)OCSC 75e51c2393446b0133ca8c8523cf3bf1 [0,2,0,0,0,0|1,0,1]=4 425 B8R0.1 CCCCC(=O)NC#N 2fe7c425eb1622681eebf36d3ea640ff [0,2,0,0,0,0|1,0,1]=4 426 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,2,0,0,0,0|1,0,1]=4 427 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [0,2,0,0,0,0|1,0,1]=4 428 B8R0.1 CCCCN(C)COC 82c59ffeb372941e62ade16842f09aa1 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,2,0,0,0,0|1,0,1]=4 430 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [0,2,0,0,0,0|1,0,1]=4 431 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,2,0,0,0,0|1,0,1]=4 432 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [0,2,0,0,0,0|1,0,1]=4 433 B8R0.1 CCCN(C)CCOC 3001c1572568a855669d478bf72bb14a [0,2,0,0,0,0|2,0,0]=4 434 B8R0.1 CCCN(C)COCC cf6f2674ada2fc38b6be0d5d76fba32b [0,2,0,0,0,0|2,0,0]=4 435 B8R0.1 CCCNC(=O)/C=C/Br b1926545c958d5233a97eecf45ef793e [0,2,0,0,0,0|1,0,1]=4 436 B8R0.1 CCCNC(=O)/C=C/Cl 5d162a53ee9ec44c434e097fbf07a78f [0,2,0,0,0,0|1,0,1]=4 437 B8R0.1 CCCNC(=O)/C=C/I 3483980bedd76cbe76739ba0675640bc [0,2,0,0,0,0|1,0,1]=4 438 B8R0.1 CCCNC(=O)/C=C\Br 587063f23ad9d4c3a5d091f654b1750d [0,2,0,0,0,0|1,0,1]=4 439 B8R0.1 CCCNC(=O)/C=C\Cl 80de1f593bb86fc7c7361689ff20ca17 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.1 CCCNC(=O)/C=C\I 30402a319b6c1a883b3206c216549b42 [0,2,0,0,0,0|1,0,1]=4 441 B8R0.1 CCCNC(=O)C#CBr c870aa8bcaa9c74afac7e765262d412d [0,2,0,0,0,0|1,0,1]=4 442 B8R0.1 CCCNC(=O)C=CBr 9a0fc142e13566664539b9eb458de53b [0,2,0,0,0,0|1,0,1]=4 443 B8R0.1 CCCNC(=O)C=CI 68a3e0e9c9707da402b670771198154c [0,2,0,0,0,0|1,0,1]=4 444 B8R0.1 CCCNC(=O)CC#N a35df4e334c2327f92e0bafe31098739 [0,2,0,0,0,0|1,0,1]=4 445 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,2,0,0,0,0|1,0,1]=4 446 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,2,0,0,0,0|1,0,0]=3 448 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,2,0,0,0,0|1,0,0]=3 449 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,2,0,0,0,0|0,0,0]=2 451 B8R0.1 CCCNC(=O)CON 9840c2139f1e78498e25b8fce4d164d2 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,2,0,0,0,0|0,1,0]=3 453 B8R0.1 CCCNC(=O)NC#N 27ed8603a99c17a3d820a7b56b6ed318 [0,2,0,0,0,0|1,0,1]=4 454 B8R0.1 CCCNC(C)COC 4346ed93e9ed26ed30cbd2c33a1a3971 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.1 CCCN[C@@H](C)COC c1bfae4cdff368ae020ea427a86f20a2 [0,2,0,0,0,0|1,0,1]=4 456 B8R0.1 CCCN[C@H](C)COC db62694081776beb55a87c04a01b7e4c [0,2,0,0,0,0|1,0,1]=4 457 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [0,2,0,0,0,0|0,1,0]=3 458 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [0,2,0,0,0,0|1,0,1]=4 459 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [0,2,0,0,0,0|1,0,1]=4 461 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,2,0,0,0,0|1,0,1]=4 462 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [0,2,0,0,0,0|1,0,1]=4 463 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,2,0,0,0,0|1,0,1]=4 464 B8R0.1 CCC[C@@H](C)OCC#N 6cfa39cf188e361c410ed92789c272b5 [0,2,0,0,0,0|1,0,1]=4 465 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,2,0,0,0,0|1,0,1]=4 466 B8R0.1 CCC[C@@H](C)OCCF 551477ebd941c69308556a318357406d [0,2,0,0,0,0|1,0,1]=4 467 B8R0.1 CCC[C@@H](C)OCCS 32dc180121f7e6b2463f9b82f724d60f [0,2,0,0,0,0|1,0,1]=4 468 B8R0.1 CCC[C@@H](C)OCOC 424856e8f73d9733e5e6cd61105c8f9c [0,2,0,0,0,0|1,0,1]=4 469 B8R0.1 CCC[C@@H](C)OCSC c99c99286eba63cefa83ea33456022c2 [0,2,0,0,0,0|1,0,1]=4 470 B8R0.1 CCC[C@H](C)NCOC e6035597a8eb8fe082f6fe480c7fc30b [0,2,0,0,0,0|1,0,1]=4 471 B8R0.1 CCC[C@H](C)OCC#N a65ccb7a75a6f63c6043f7514ae51a4c [0,2,0,0,0,0|1,0,1]=4 472 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,2,0,0,0,0|1,0,1]=4 473 B8R0.1 CCC[C@H](C)OCCF e12d025f332e1847a0a0c8377933b294 [0,2,0,0,0,0|1,0,1]=4 474 B8R0.1 CCC[C@H](C)OCCS 9c981c47f7c3ead27a21a510681a21c3 [0,2,0,0,0,0|1,0,1]=4 475 B8R0.1 CCC[C@H](C)OCOC f3c5c84cdb332795f207cd42cee3605b [0,2,0,0,0,0|1,0,1]=4 476 B8R0.1 CCC[C@H](C)OCSC 32a5d497847cfe259fd9a3968696750a [0,2,0,0,0,0|1,0,1]=4 477 B8R0.1 CCNC(=O)CNCF 00b80b6827b81d8895e54234ac75d43c [0,2,0,0,0,0|2,0,0]=4 478 B8R0.1 CCNC(=O)CNCO ce3cba50f7ed87e7409428e42c23fd71 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,2,0,0,0,0|1,0,0]=3 480 B8R0.1 CCNC(=O)COCF 07accf9dfadaaccc536f5c34a66ac1b1 [0,2,0,0,0,0|1,0,0]=3 481 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,2,0,0,0,0|1,0,0]=3 482 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,2,0,0,0,0|0,0,0]=2 483 B8R0.1 CCNCC(C)OCC eada9db090733897974960683afe5496 [0,2,0,0,0,0|1,0,1]=4 484 B8R0.1 CCNCC(O)COC f6b0536e22df73e563264ad1928c3a48 [0,2,0,0,0,0|0,0,2]=4 485 B8R0.1 CCNC[C@H](O)COC 5c0728270cf850017ded59cb547c9167 [0,2,0,0,0,0|0,0,2]=4 486 B8R0.1 CCOC(=O)CNC#N 5d84038a545807021d0d5d796040f780 [0,2,0,0,0,0|1,0,1]=4 487 B8R0.1 CCOC(=O)CNC=O 9f57910f0884d9a30d5951af969e11f6 [0,2,0,0,0,0|1,0,1]=4 488 B8R0.1 CCOC(=O)CNCF 7d02e761e530b1a2e8b4937d75024162 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.1 CCOC(=O)CNCO be258da79336855a99e7f18427102b1b [0,2,0,0,0,0|1,0,0]=3 490 B8R0.1 CCOC(=O)COCF e0f65d48f1d596b5b0dcd0c878bc5d05 [0,2,0,0,0,0|1,0,0]=3 491 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,2,0,0,0,0|1,0,1]=4 492 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,2,0,0,0,0|1,0,1]=4 493 B8R0.1 CCOCC(=O)NC#N b14d7678dab8d31dfd317a29925c01b8 [0,2,0,0,0,0|1,0,1]=4 494 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,2,0,0,0,0|0,0,0]=2 495 B8R0.1 CCOCC(C)OCC 20a9fb9f86ef4d51ef11c7f7a467151a [0,2,0,0,0,0|1,0,1]=4 496 B8R0.1 CCOCC(C)OCF bcb6d4f0696d0db17649578eada29ff8 [0,2,0,0,0,0|1,0,1]=4 497 B8R0.1 CCSCC(=O)NC#N 0f21ec1e57519d161a741bee2fc49ed9 [0,2,0,0,0,0|1,0,1]=4 498 B8R0.1 COCC(=O)CNC#N 3b88c69df65aae2aef2104252f95eee8 [0,2,0,0,0,0|1,0,1]=4 499 B8R0.1 COCC(=O)NCC#N b9b1e25677cd4c9f33e77a62bc136b71 [0,2,0,0,0,0|1,0,1]=4 500 B8R0.1 COCC(=O)NCCBr e1d7efa2beb897f6fe8c723e5fef1d8c [0,2,0,0,0,0|1,0,0]=3 501 B8R0.1 COCC(=O)NCCF 5b27f9df05a07da8459d8e50096ac5ef [0,2,0,0,0,0|1,0,0]=3 502 B8R0.1 COCC(=O)NCCI 555339bd86b0ca69dc4cdec31caa1894 [0,2,0,0,0,0|1,0,0]=3 503 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,2,0,0,0,0|1,0,0]=3 504 B8R0.1 COCC(=O)NCCS 730709bdb2536a5f7519c33efb71b705 [0,2,0,0,0,0|1,0,0]=3 505 B8R0.1 COCCC(=O)NC#N 0164696a986e1f0378c0b9e07c237c02 [0,2,0,0,0,0|1,0,1]=4 506 B8R0.1 COCCC(C)OCF 1c24462098656029d24876204a2cded4 [0,2,0,0,0,0|1,0,1]=4 507 B8R0.1 COCCN(C)COC 988caaf7b0acbc240227baa170a3504a [0,2,0,0,0,0|2,0,0]=4 508 B8R0.1 COCN(C)CCCO 56bf23a0f821c588da38c52571d1a699 [0,2,0,0,0,0|2,0,0]=4 509 B8R0.1 COCN(C)CCSC 602ce5b7bc7a225ea70b75ddd3304e98 [0,2,0,0,0,0|2,0,0]=4 510 B8R0.1 CSCC(=O)NCC#N d732fb262e515ed32de5452f97ee12d8 [0,2,0,0,0,0|2,0,0]=4 511 B8R0.1 CSCC(=O)NCCBr 98705a0f39eb077061bcbd29b0672e6a [0,2,0,0,0,0|1,1,0]=4 512 B8R0.1 CSCC(=O)NCCF dfda28d66fa36cfb5ce50a1350224197 [0,2,0,0,0,0|1,1,0]=4 513 B8R0.1 CSCC(=O)NCCI 7bfc8d164efaef654c34edd5d1d07835 [0,2,0,0,0,0|1,1,0]=4 514 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,2,0,0,0,0|1,1,0]=4 515 B8R0.1 CSCC(=O)NCCS 0c7243c53eb1aa5322c2775032ee2b33 [0,2,0,0,0,0|1,1,0]=4 516 B8R0.1 CSCCC(=O)NC#N aef0d4e74706fd59073e203e77c34320 [0,2,0,0,0,0|1,0,1]=4 517 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,2,0,0,0,0|1,0,1]=4 518 B8R0.1 N#CCNC(=O)CCF df94db636624542224dff79afd456c89 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.1 N#CCNC(=O)CCO 4cb7ec4d29a04c5392c09b8643634927 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.1 N#CCNC(=O)CCS 65ac0fd9c89bd91cbedcee8c7da4e74a [0,2,0,0,0,0|2,0,0]=4 521 B8R0.1 N#CNC(=O)CCCF 62bfd5667a86cf008f3e5a7a3dced5f3 [0,2,0,0,0,0|1,0,1]=4 522 B8R0.1 N#CNC(=O)CCCS 97d957bc025416f4428f830074eec472 [0,2,0,0,0,0|1,0,1]=4 523 B8R0.1 NOCC(=O)NCCBr c0babb816ff6ad071d50637a90f5b53a [0,2,0,0,0,0|2,0,0]=4 524 B8R0.1 NOCC(=O)NCCF 9e810ff41c2108c50e8d8b1b8bd5f2d7 [0,2,0,0,0,0|2,0,0]=4 525 B8R0.1 NOCC(=O)NCCI 1fcbed4147de39f8976794c95925d11c [0,2,0,0,0,0|2,0,0]=4 526 B8R0.1 NOCC(=O)NCCO fd618ddcd2c6c81b594a362cc110fd22 [0,2,0,0,0,0|2,0,0]=4 527 B8R0.1 NOCC(=O)NCCS 18d27bf78c6e7759f1c46eb3797eeb7e [0,2,0,0,0,0|2,0,0]=4 528 B8R0.1 O=C(CCF)NCCBr 4e6a83a04fff0ae2002d06f5532a71cf [0,2,0,0,0,0|2,0,0]=4 529 B8R0.1 O=C(CCF)NCCF 3ee47b2b4a969933bf6a2b7769d886d8 [0,2,0,0,0,0|2,0,0]=4 530 B8R0.1 O=C(CCF)NCCI 0514d32be9a459d35ff2d3dd8e59c8c1 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [0,2,0,0,0,0|2,0,0]=4 532 B8R0.1 O=C(CCF)NCCS cc499bcf14cc4ef20c4a540fd4249535 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.1 O=C(CCO)NCCBr 0598e39f87524871b714a958e56557af [0,2,0,0,0,0|2,0,0]=4 534 B8R0.1 O=C(CCO)NCCF fc3c58338add0c048e7e192017336dc4 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.1 O=C(CCO)NCCI f4b9eac1b1d1ab1205b4f68c01e683b0 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.1 O=C(CCO)NCCS 67e704856b61f7f4ce061f14d041dc6c [0,2,0,0,0,0|2,0,0]=4 538 B8R0.1 O=C(CCS)NCCBr 0eb47b0aecf2287af30d9b3e94e8bc58 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.1 O=C(CCS)NCCF b7e186cad638003cfed1aa574b20f812 [0,2,0,0,0,0|2,0,0]=4 540 B8R0.1 O=C(CCS)NCCI 56f9d8039c6ce5f07f13c307d4e588bf [0,2,0,0,0,0|2,0,0]=4 541 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.1 O=C(CCS)NCCS a425fac0fa57c463ae17426b0d0c8bcc [0,2,0,0,0,0|2,0,0]=4 543 B8R0.3 C#CC(=O)N(C)CCC e31f79932e58626d6b59443bb0ca318b [0,2,0,0,0,0|1,0,1]=4 544 B8R0.3 C/C=C/C(=O)N(C)CC 010d03e6e98c063c8118cc9246730070 [0,2,0,0,0,0|2,0,0]=4 545 B8R0.3 C=CC(=O)N(C)CCC f05c81ec6e4b8b88c210d66f3d63ec26 [0,2,0,0,0,0|1,0,1]=4 546 B8R0.3 CC#CC(=O)N(C)CC ce7ba14c4ba78c903b518b7ba2ff9505 [0,2,0,0,0,0|2,0,0]=4 547 B8R0.3 CCC(=O)N(C)CCF 318a2530a556961418490c44b6c90fdd [0,2,0,0,0,0|2,0,0]=4 548 B8R0.3 CCC(=O)N(C)CCO e0dd9f4a6beab4473ee465efb09f2b8e [0,2,0,0,0,0|2,0,0]=4 549 B8R0.3 CCC(C)C(C)OCF 30627d9b103d83cf836466428f65b8c3 [0,2,0,0,0,0|1,0,1]=4 550 B8R0.3 CCC(C)N(C)COC fd54180cf301b5af5c09b4bd26add3bd [0,2,0,0,0,0|2,0,0]=4 551 B8R0.3 CCC(O)C(=O)NC#N 0600031cf5b0901051c25a910b158eca [0,2,0,0,0,0|1,0,1]=4 552 B8R0.3 CCCC(=O)N(C)CC d5f34bd9db3ccc82fc95365990f29579 [0,2,0,0,0,0|1,0,0]=3 553 B8R0.3 CCCN(C)C(=O)C=O ae9046810fc57b836f1225fb4fa409a0 [0,2,0,0,0,0|2,0,0]=4 554 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.3 CCCN(C)C(=O)CF 080c0d4ce746cadf5e3f0d9a56835299 [0,2,0,0,0,0|2,0,0]=4 556 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,2,0,0,0,0|2,0,0]=4 557 B8R0.3 CCCN(C)C(=O)CS bcfb0bbfdb716f32aeb6ae13debe4701 [0,2,0,0,0,0|2,0,0]=4 558 B8R0.3 CCN(C)C(=O)CCF e5a9ff21e8c2fcaad476896c3478fe71 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.3 CCN(C)C(=O)CCO a768fc1ddb9cd71dd31e098b1227291c [0,2,0,0,0,0|2,0,0]=4 560 B8R0.3 CCN(C)C(=O)CCS 9063f4e5b939dc91c720aeb631377d8b [0,2,0,0,0,0|2,0,0]=4 561 B8R0.3 CCN(C)C(=O)COC bc075abf9590b9fbb9912b8588e5739b [0,2,0,0,0,0|1,0,0]=3 562 B8R0.3 CCN(C)C(=O)CON 6e0d14f683e9faf9643ea856a165130f [0,2,0,0,0,0|2,0,0]=4 563 B8R0.3 CCN(C)C(=O)CSC de841dcb44287d75dce30d4bffb7e292 [0,2,0,0,0,0|1,1,0]=4 564 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,2,0,0,0,0|1,0,0]=3 565 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,2,0,0,0,0|0,0,0]=2 566 B8R0.3 CCOC(C)C(C)CC bb6404bf405bb18f7200bca5bcafe98a [0,2,0,0,0,0|1,0,1]=4 567 B8R0.3 CCOC(C)C(C)OC 9c4f80364c61bd6b6d6dccb09e64f357 [0,2,0,0,0,0|1,0,1]=4 568 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,2,0,0,0,0|0,0,0]=2 569 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,2,0,0,0,0|0,0,0]=2 570 B8R0.3 CC[C@@H](O)C(=O)NC#N de1e0a87f1cf1807d937f8bc595db0ec [0,2,0,0,0,0|1,0,1]=4 571 B8R0.3 CC[C@H](O)C(=O)NC#N 16f8fc2f27602ba26683337bdba418eb [0,2,0,0,0,0|1,0,1]=4 572 B8R0.3 CC[C@H](S)C(=O)NC#N 05b0a612cfa626a0637f72d66ea12862 [0,2,0,0,0,0|1,0,1]=4 573 B8R0.3 CNC(=O)C(C)NCF 36961f48791e8b3196a594acce9c8e8a [0,2,0,0,0,0|2,0,0]=4 574 B8R0.3 CNC(=O)C(C)NCO a34e41a62dab697e3cedeec3c087b7b0 [0,2,0,0,0,0|2,0,0]=4 575 B8R0.3 COC(=O)C(C)NC#N 0da26f030d7cbb617c3d102fad361d22 [0,2,0,0,0,0|1,0,1]=4 576 B8R0.3 COC(=O)C(C)OCF 225188b3064670e98f4e80d2140895bc [0,2,0,0,0,0|1,0,0]=3 577 B8R0.3 COC(=O)[C@@H](C)NC#N c796307ff0b9ba8fc5b9db354520dce4 [0,2,0,0,0,0|1,0,1]=4 578 B8R0.3 COC(=O)[C@@H](C)OCF 91f7505b58320e2d5e72e03fb5b0d0c5 [0,2,0,0,0,0|1,0,0]=3 579 B8R0.3 COC(=O)[C@H](C)NC#N 33f198992691a24d8b15f51815640099 [0,2,0,0,0,0|1,0,1]=4 580 B8R0.3 COC(=O)[C@H](C)OCF 1dbcfe62c201ad25840f7e5329cbdc78 [0,2,0,0,0,0|1,0,0]=3 581 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,2,0,0,0,0|1,0,1]=4 582 B8R0.6 C#CC(=O)NCCCCl 1e6f7ab06ab7dcf88ea4205ff8340824 [0,2,0,0,0,0|1,0,1]=4 583 B8R0.6 C#CC(=O)NCCCO 12d57d1037b70231cb0862460a64755d [0,2,0,0,0,0|1,0,1]=4 584 B8R0.6 C#CC(=O)NCCOC 27d5f534cf46c1b30aac020f37738689 [0,2,0,0,0,0|1,0,1]=4 585 B8R0.6 C#CC(=O)NCCSC 1d2889159a53b2ae0146f8d2c63c8c49 [0,2,0,0,0,0|1,0,1]=4 586 B8R0.6 C#CCCNC(=O)CC 675df9b37ab5c9ee6d5c9db4e0b3cee9 [0,2,0,0,0,0|1,0,1]=4 587 B8R0.6 C#CCNCC(=C)OC 7bb6e3ec06a323360f1936227e96623a [0,2,0,0,0,0|1,0,1]=4 588 B8R0.6 C#CCNCC(=O)CC c306a58106d871d66f9632f16da5a734 [0,2,0,0,0,0|1,0,1]=4 589 B8R0.6 C#CCNCC(=O)NC 0734edd1a455cb52847005383d65287a [0,2,0,0,0,0|1,0,1]=4 590 B8R0.6 C#CCNCC(=O)OC 45a330447218442f782052439de91cbb [0,2,0,0,0,0|0,0,1]=3 591 B8R0.6 C#CCOCC(=C)OC 0f84e70b3f47c50d1587c61f9019e2bb [0,2,0,0,0,0|1,0,1]=4 592 B8R0.6 C#CCOCC(=O)CC 432ed08c7ed6528d6b4d9248e66c13d7 [0,2,0,0,0,0|1,0,1]=4 593 B8R0.6 C#CCOCC(=O)NC c431f788de734fb576e66eb9c43d15bd [0,2,0,0,0,0|1,0,1]=4 594 B8R0.6 C#CCOCC(=O)OC 1936252f7aa08c2478ab6a51c2564247 [0,2,0,0,0,0|0,0,1]=3 595 B8R0.6 C=C(CC)CNCCBr 2997f31300e075e12280de78a538d6f2 [0,2,0,0,0,0|2,0,0]=4 596 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,2,0,0,0,0|2,0,0]=4 597 B8R0.6 C=C(CC)CNCCF 85aeaea14bf77498afd0be50514993fb [0,2,0,0,0,0|2,0,0]=4 598 B8R0.6 C=C(CC)CNCCI 9c0b35da1e0c58b009e99741b9bb42bf [0,2,0,0,0,0|2,0,0]=4 599 B8R0.6 C=C(CC)CNCCO 223a30784a1107a501d92d7e0122084b [0,2,0,0,0,0|2,0,0]=4 600 B8R0.6 C=C(CC)CNCCS 1b35fc01c4a35914bb8ff69eeb12966e [0,2,0,0,0,0|2,0,0]=4 601 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,2,0,0,0,0|2,0,0]=4 602 B8R0.6 C=C(CC)COCCF e29bcc08014545601ec41df77fd3afb1 [0,2,0,0,0,0|2,0,0]=4 603 B8R0.6 C=C(CC)COCCS 1954896189fc03c4d7a15c9e17b08731 [0,2,0,0,0,0|2,0,0]=4 604 B8R0.6 C=C(CC)COCOC 8620d2b3e026d934a9f25c9b8e5eed2b [0,2,0,0,0,0|2,0,0]=4 605 B8R0.6 C=C(CNCC#N)OC f7eaa19edebb5345654ebb5f79ad32a9 [0,2,0,0,0,0|1,0,1]=4 606 B8R0.6 C=C(CNCCBr)OC efbac263e7650d3962d08edf3ce114db [0,2,0,0,0,0|1,0,0]=3 607 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [0,2,0,0,0,0|1,0,0]=3 608 B8R0.6 C=C(CNCCF)OC 0e8256fb644c0f85910115699008ab8e [0,2,0,0,0,0|1,0,0]=3 609 B8R0.6 C=C(CNCCI)OC fcef31f506379ae7bbc30bf7d4c63099 [0,2,0,0,0,0|1,0,0]=3 610 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,2,0,0,0,0|1,0,0]=3 611 B8R0.6 C=C(CNCCS)OC ce06596f455c7bf3f5895fe9ae52a28f [0,2,0,0,0,0|1,0,0]=3 612 B8R0.6 C=C(COCC#N)OC fc2d8aaf7e78208e2c57e9bc02a2b0e6 [0,2,0,0,0,0|1,0,1]=4 613 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,2,0,0,0,0|1,0,0]=3 614 B8R0.6 C=C(COCCF)OC 781881c77dd820871f857506616f3c75 [0,2,0,0,0,0|1,0,0]=3 615 B8R0.6 C=C(COCCS)OC 4d7d697d0d7ec1ce88163ba6265f360d [0,2,0,0,0,0|1,0,0]=3 616 B8R0.6 C=C(COCOC)OC ecada7a2d0836d223f9478db3a9a4d4b [0,2,0,0,0,0|1,0,0]=3 617 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,2,0,0,0,0|1,0,1]=4 618 B8R0.6 C=CC(=O)NCCCCl b3fefab619db0213f8f1d61d24e52747 [0,2,0,0,0,0|1,0,1]=4 619 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,2,0,0,0,0|1,0,1]=4 620 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,2,0,0,0,0|1,0,1]=4 621 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,2,0,0,0,0|1,0,1]=4 622 B8R0.6 C=CC(=O)NCOCC a3acdb74bd061db7f0f50fdf176f3404 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,2,0,0,0,0|1,0,1]=4 624 B8R0.6 C=CCNCC(=O)NC f548b9ed621af83174e69d5d65b71e11 [0,2,0,0,0,0|1,0,1]=4 625 B8R0.6 C=CCNCC(=O)OC 149a449e2131ace3a8ad23121b53b8be [0,2,0,0,0,0|0,0,1]=3 626 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,2,0,0,0,0|1,0,1]=4 627 B8R0.6 C=CCOCC(=O)NC 78ae20439406612f9980a44f6c28e411 [0,2,0,0,0,0|1,0,1]=4 628 B8R0.6 C=CCOCC(=O)OC 4af7941697fe7abf28d3bb985f3618ec [0,2,0,0,0,0|0,0,1]=3 629 B8R0.6 CC#CCNC(=O)CC 6d9ddda364502c2ffe7bd0b913f40e69 [0,2,0,0,0,0|1,0,1]=4 630 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,2,0,0,0,0|1,0,1]=4 631 B8R0.6 CCC(=O)CNCC#N cd2d4ac86eb31d1927746a139e109e79 [0,2,0,0,0,0|1,0,1]=4 632 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,2,0,0,0,0|1,0,0]=3 633 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,2,0,0,0,0|1,0,0]=3 634 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,2,0,0,0,0|1,0,0]=3 635 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,2,0,0,0,0|1,0,0]=3 636 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,2,0,0,0,0|1,0,0]=3 637 B8R0.6 CCC(=O)COCC#N df5b26610d1a9f1f635c4ac5e628d5dd [0,2,0,0,0,0|1,0,1]=4 638 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,2,0,0,0,0|1,0,1]=4 639 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,2,0,0,0,0|1,0,0]=3 640 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,2,0,0,0,0|1,0,0]=3 641 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,2,0,0,0,0|1,0,0]=3 642 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,2,0,0,0,0|1,0,0]=3 643 B8R0.6 CCC(=O)NCCC#N 48cc6a86c0c6f5553ba199e61ccae9bf [0,2,0,0,0,0|1,0,1]=4 644 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,2,0,0,0,0|1,0,0]=3 645 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,2,0,0,0,0|1,0,0]=3 646 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,2,0,0,0,0|1,0,0]=3 647 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,2,0,0,0,0|2,0,0]=4 648 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,2,0,0,0,0|1,0,0]=3 649 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,2,0,0,0,0|2,0,0]=4 650 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,2,0,0,0,0|1,0,0]=3 651 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,2,0,0,0,0|2,0,0]=4 654 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,2,0,0,0,0|1,0,0]=3 655 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,2,0,0,0,0|2,0,0]=4 656 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,2,0,0,0,0|1,0,0]=3 657 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,2,0,0,0,0|2,0,0]=4 658 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,2,0,0,0,0|0,0,0]=2 659 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,2,0,0,0,0|1,0,1]=4 660 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,2,0,0,0,0|1,0,1]=4 661 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,2,0,0,0,0|1,0,1]=4 662 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,2,0,0,0,0|1,0,0]=3 663 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,2,0,0,0,0|1,0,0]=3 664 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,2,0,0,0,0|0,0,0]=2 665 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,2,0,0,0,0|1,0,1]=4 666 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,2,0,0,0,0|1,0,1]=4 667 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,2,0,0,0,0|1,0,1]=4 668 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,2,0,0,0,0|1,0,0]=3 669 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,2,0,0,0,0|2,0,0]=4 670 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,2,0,0,0,0|0,0,0]=2 671 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,2,0,0,0,0|1,0,0]=3 672 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,2,0,0,0,0|0,0,0]=2 673 B8R0.6 CCOCCC(C)OC aca392573287df7e0b1f4fb0d4e1cdef [0,2,0,0,0,0|1,0,1]=4 674 B8R0.6 CNC(=O)CCNC#N 9df6bde8ff5527a9a9b73672aa2859de [0,2,0,0,0,0|1,0,1]=4 675 B8R0.6 CNC(=O)CCNC=O 0287357d6b05e381fe3090944ec763f1 [0,2,0,0,0,0|1,0,1]=4 676 B8R0.6 CNC(=O)CCNCF 7d032297ec7b15962e82d70691941148 [0,2,0,0,0,0|1,0,0]=3 677 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,2,0,0,0,0|1,0,0]=3 678 B8R0.6 CNC(=O)CCOCF d44958e5865e9e15b8b4578e30ceba1f [0,2,0,0,0,0|1,0,0]=3 679 B8R0.6 CNC(=O)CNCC#N 995edbbfaf01ad1a0a32b6c67bcaab1a [0,2,0,0,0,0|1,0,1]=4 680 B8R0.6 CNC(=O)CNCC=O cfe6c3d1fbc6a8a471727a0cb22b0fb6 [0,2,0,0,0,0|1,0,1]=4 681 B8R0.6 CNC(=O)CNCCBr 6c7bbb2b8e2277851a9c4b1ee98b855e [0,2,0,0,0,0|1,0,0]=3 682 B8R0.6 CNC(=O)CNCCF ad7e29831d5186eb0f908b77a11c392c [0,2,0,0,0,0|1,0,0]=3 683 B8R0.6 CNC(=O)CNCCI e2ceae3c2127a1926854bc9548bd60de [0,2,0,0,0,0|1,0,0]=3 684 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,2,0,0,0,0|1,0,0]=3 685 B8R0.6 CNC(=O)CNCCS 910fb23341c3da7d5e154bf7558a8aca [0,2,0,0,0,0|1,0,0]=3 686 B8R0.6 CNC(=O)CNCOC 8847ec992234bab2b496b10120a2af91 [0,2,0,0,0,0|1,0,0]=3 687 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,2,0,0,0,0|1,0,0]=3 688 B8R0.6 CNC(=O)COCC#N b0d1e0c2d2fe987e58b15aa862461a14 [0,2,0,0,0,0|1,0,1]=4 689 B8R0.6 CNC(=O)COCC=O 8efd894a0631a7157c9af1a4a1868776 [0,2,0,0,0,0|1,0,1]=4 690 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,2,0,0,0,0|1,0,0]=3 691 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,2,0,0,0,0|1,0,0]=3 692 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,2,0,0,0,0|1,0,0]=3 693 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,2,0,0,0,0|1,0,0]=3 694 B8R0.6 COC(=O)CCNC#N 7a530d6d679d08354249cd6e728a86d9 [0,2,0,0,0,0|0,0,1]=3 695 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [0,2,0,0,0,0|0,0,1]=3 696 B8R0.6 COC(=O)CCNCF c9ea88c8e4da792c48ff261f6679c953 [0,2,0,0,0,0|0,0,0]=2 697 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,2,0,0,0,0|0,0,0]=2 698 B8R0.6 COC(=O)CCOCF 2f015a84e5a71939cec0c0c38276031f [0,2,0,0,0,0|0,0,0]=2 699 B8R0.6 COC(=O)CNCC#N e54efd0e7cdfa4eb3c060e8dafdb53cb [0,2,0,0,0,0|0,0,1]=3 700 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [0,2,0,0,0,0|0,0,1]=3 701 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [0,2,0,0,0,0|0,0,0]=2 702 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [0,2,0,0,0,0|0,0,0]=2 703 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [0,2,0,0,0,0|0,0,0]=2 704 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,2,0,0,0,0|0,0,0]=2 705 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [0,2,0,0,0,0|0,0,0]=2 706 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,2,0,0,0,0|0,0,0]=2 707 B8R0.6 COC(=O)COCC#N d961317c976447afdfd8be4bef3f1d28 [0,2,0,0,0,0|0,0,1]=3 708 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [0,2,0,0,0,0|0,0,1]=3 709 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,2,0,0,0,0|0,0,0]=2 710 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,2,0,0,0,0|0,0,0]=2 711 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,2,0,0,0,0|0,0,0]=2 712 B8R0.6 COC(=O)OCNC#N 68a1636c7d8817a5e8ec4b65f17a1204 [0,2,0,0,0,0|1,0,1]=4 713 B8R0.6 COC(C)CCOCF beae3c76f3600c0e0ecf07e49acce172 [0,2,0,0,0,0|1,0,1]=4 714 B8R0.6 COC(C)CNCCBr 343df0611702d315f20ba2f6e4b5d89e [0,2,0,0,0,0|1,0,1]=4 715 B8R0.6 COC(C)CNCCF 10866d4849ed6a7df5091f46a6ea088f [0,2,0,0,0,0|1,0,1]=4 716 B8R0.6 COC(C)CNCCI 8fad70571733b4fba11deb0bfcd773f8 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.6 COC(C)CNCCO 0f8da2fe020173b495a919bb7366dd98 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.6 COC(C)CNCCS f3b08876a57f08b549aea7a7a64ef627 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.6 COC(C)COCCF 5159862ff77079abf873c153601e6960 [0,2,0,0,0,0|1,0,1]=4 720 B8R0.6 COC(C)COCCS 01eabf4ff56744b1f00192cd8f7d9372 [0,2,0,0,0,0|1,0,1]=4 721 B8R0.6 COC(C)COCSC c95dbaa03076c7f4675e922f7c6327fa [0,2,0,0,0,0|1,0,1]=4 722 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,2,0,0,0,0|2,0,0]=4 723 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,2,0,0,0,0|2,0,0]=4 724 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,2,0,0,0,0|2,0,0]=4 725 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,2,0,0,0,0|2,0,0]=4 726 B8R0.6 COCNCC(=O)NO 6370b599efa65c671e4aeafd65f9dc2d [0,2,0,0,0,0|2,0,0]=4 727 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [0,2,0,0,0,0|0,0,0]=2 728 B8R0.6 COCNC[C@@H](C)OC 8719badde24da218495728acf9da382d [0,2,0,0,0,0|1,0,1]=4 729 B8R0.6 COCNC[C@H](C)OC 0a6541aa22390aaad41f3e5d8953386c [0,2,0,0,0,0|1,0,1]=4 730 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,2,0,0,0,0|0,0,0]=2 731 B8R0.6 COCOCC(C)OC c05c58edc019f9219269006f32e8e653 [0,2,0,0,0,0|1,0,1]=4 732 B8R0.6 COCOC[C@@H](C)OC de9e91a19b19de64061abe48af26aa5f [0,2,0,0,0,0|1,0,1]=4 733 B8R0.6 COCOC[C@H](C)OC ad233134d7aadab353a6532bf99fe148 [0,2,0,0,0,0|1,0,1]=4 734 B8R0.6 CO[C@@H](C)CNCCBr 575520c7f8c5474ebd1a904f097eda0b [0,2,0,0,0,0|1,0,1]=4 735 B8R0.6 CO[C@@H](C)CNCCF aee6edb2eb80cfeeadac0acf7e33fac1 [0,2,0,0,0,0|1,0,1]=4 736 B8R0.6 CO[C@@H](C)CNCCI b65ec83d63f1e1893ea7f614e7bae64a [0,2,0,0,0,0|1,0,1]=4 737 B8R0.6 CO[C@@H](C)CNCCO bdc5af120e21fed0e9f5ff90640d6138 [0,2,0,0,0,0|1,0,1]=4 738 B8R0.6 CO[C@@H](C)CNCCS a5e9464e04656120c787441fd79c0eab [0,2,0,0,0,0|1,0,1]=4 739 B8R0.6 CO[C@@H](C)CNCSC 78931860676203d976e0374c798e7258 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.6 CO[C@@H](C)COCCF 9de32b5c20f229d509647aa46de5af21 [0,2,0,0,0,0|1,0,1]=4 741 B8R0.6 CO[C@@H](C)COCCS ba23216a89cb693c1a306650cc6ad1f9 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.6 CO[C@@H](C)COCSC 3d16e33683997381bb9d0caeea283c9d [0,2,0,0,0,0|1,0,1]=4 743 B8R0.6 CO[C@H](C)CNCCBr 569141d3b7c9c39130902631da0de609 [0,2,0,0,0,0|1,0,1]=4 744 B8R0.6 CO[C@H](C)CNCCF 1d79eaee53d341a8b7c0bca1964a4b8b [0,2,0,0,0,0|1,0,1]=4 745 B8R0.6 CO[C@H](C)CNCCI ef50295858d4acfee43909b511e6075c [0,2,0,0,0,0|1,0,1]=4 746 B8R0.6 CO[C@H](C)CNCCO eb0d14126ad888b1d3378c286328a08a [0,2,0,0,0,0|1,0,1]=4 747 B8R0.6 CO[C@H](C)CNCCS aba97d35ef4ac3709331e9b6c733191d [0,2,0,0,0,0|1,0,1]=4 748 B8R0.6 CO[C@H](C)CNCSC c3d3388a32eb99bbae83c0a117ed495b [0,2,0,0,0,0|1,0,1]=4 749 B8R0.6 CO[C@H](C)COCCF 331b775553b628c61f60475d9f4716e1 [0,2,0,0,0,0|1,0,1]=4 750 B8R0.6 CO[C@H](C)COCCS a0b19a1c6390e25349d6d4b4dc06403c [0,2,0,0,0,0|1,0,1]=4 751 B8R0.6 CO[C@H](C)COCSC bab8e0bbdfc17dc0e96f555e2d16602d [0,2,0,0,0,0|1,0,1]=4 752 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,2,0,0,0,0|2,0,0]=4 753 B8R0.6 CSCCNC(=O)CF 57944584a9e694467df2be000c951ad6 [0,2,0,0,0,0|2,0,0]=4 754 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,2,0,0,0,0|2,0,0]=4 755 B8R0.6 CSCCNC(=O)CS 2af34aeed751cd9e812792b0dc7e1060 [0,2,0,0,0,0|2,0,0]=4 756 B8R0.6 CSCNCC(=O)NO 9162eae199ecb4fcb04238ef65fba3a9 [0,2,0,0,0,0|2,0,0]=4 757 B8R0.6 O=C(CCNCF)NO aaad06265f693e1393c4e11198291b97 [0,2,0,0,0,0|2,0,0]=4 758 B8R0.6 O=C(CCNCO)NO a2ec66bacb8f2a5bbd11eb6132728c80 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.6 O=C(CF)NCCCCl 934b8e6ee889c80727ea8b7e3cae7f71 [0,2,0,0,0,0|2,0,0]=4 760 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,2,0,0,0,0|2,0,0]=4 761 B8R0.6 O=C(CNCCF)NO 4ede23953c58be1266bfab49008bd398 [0,2,0,0,0,0|2,0,0]=4 762 B8R0.6 O=C(CNCCO)NO 9399a3f3247500214a3724c003b791f0 [0,2,0,0,0,0|2,0,0]=4 763 B8R0.6 O=C(CNCCS)NO 6bd3c1ae8f710265188a27a831a6425d [0,2,0,0,0,0|2,0,0]=4 764 B8R0.6 O=C(CO)CNCCBr 4b4dd4df91e92b925ca40ac918c073a9 [0,2,0,0,0,0|2,0,0]=4 765 B8R0.6 O=C(CO)CNCCF 9f05edaf4811ba7f9ac498eb6a37ffc4 [0,2,0,0,0,0|2,0,0]=4 766 B8R0.6 O=C(CO)CNCCI fad7dbe7caa4eb2201e5d92c6c999ddf [0,2,0,0,0,0|2,0,0]=4 767 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,2,0,0,0,0|2,0,0]=4 768 B8R0.6 O=C(CO)CNCCS 0b181a826e47050c4e6ba69a8d17fa11 [0,2,0,0,0,0|2,0,0]=4 769 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,2,0,0,0,0|2,0,0]=4 770 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.6 O=C(CS)NCCCCl 17654daec75e68e56a406f3209f982cd [0,2,0,0,0,0|2,0,0]=4 772 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,2,0,0,0,0|2,0,0]=4 773 B8R0.6 O=CC(=O)NCCCCl 64f1b2357217366e1bf6fcb0b40fa18e [0,2,0,0,0,0|2,0,0]=4 774 B8R0.6 O=CC(=O)NCCCO c7baf2e22cfdb49043ef0f7982d363e4 [0,2,0,0,0,0|2,0,0]=4 775 B8R0.8 C=C(Br)C(=O)NCCC 2837c9555b8dd6316a0bf9942b0335eb [0,2,0,0,0,0|1,0,1]=4 776 B8R0.8 C=C(C)C(=O)NCCBr 61120e26dbeb4e895f737bdf6d4436bb [0,2,0,0,0,0|2,0,0]=4 777 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,2,0,0,0,0|1,0,0]=3 778 B8R0.8 C=C(C)C(=O)NCCF 72013eef2585a0c39d2ebbaa6d0c72b9 [0,2,0,0,0,0|2,0,0]=4 779 B8R0.8 C=C(C)C(=O)NCCI cb5688c5d662b39b7123ac0fec17c67d [0,2,0,0,0,0|2,0,0]=4 780 B8R0.8 C=C(C)C(=O)NCCO 5937f095d3991cd8f739a66f2a9c04e9 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.8 C=C(C)C(=O)NCCS 338ac740b4761d63bc015d9cb77d6c81 [0,2,0,0,0,0|2,0,0]=4 782 B8R0.8 C=C(Cl)C(=O)NCCC 7fabd2186cb29ffd4c2fa87ca91a4c93 [0,2,0,0,0,0|1,0,1]=4 783 B8R0.8 C=C(F)C(=O)NCCC 94823a38af8f5e8e7e73928fc821ff79 [0,2,0,0,0,0|1,0,1]=4 784 B8R0.8 CC(=O)C(=O)NCCBr b951238298d8a5693ac2dc119d2a6125 [0,2,0,0,0,0|2,0,0]=4 785 B8R0.8 CC(=O)C(=O)NCCF f10a316fe81eca6c402987edef00d0b4 [0,2,0,0,0,0|2,0,0]=4 786 B8R0.8 CC(=O)C(=O)NCCI 49a7fa58657568758ac0aac23ff45607 [0,2,0,0,0,0|2,0,0]=4 787 B8R0.8 CC(=O)C(=O)NCCO 68aa5fa37dd1955ac40b92420671c9c7 [0,2,0,0,0,0|2,0,0]=4 788 B8R0.8 CC(=O)C(=O)NCCS 0e86c38b29bd2555c9be005ee65dd41e [0,2,0,0,0,0|2,0,0]=4 789 B8R0.8 CC(F)C(=O)NCCI 8a0369cfed1018ee828f00a2e04759cb [0,2,0,0,0,0|2,0,0]=4 790 B8R0.8 CC(F)C(=O)NCCO 5714b08de3ce4f90a90b82e533206732 [0,2,0,0,0,0|2,0,0]=4 791 B8R0.8 CC(F)C(=O)NCCS b39d80e8f07ef9221c0aa27f4f78917f [0,2,0,0,0,0|2,0,0]=4 792 B8R0.8 CC(O)C(=O)NCCF 91832489eb3405f9b8e768fbbfba918a [0,2,0,0,0,0|2,0,0]=4 793 B8R0.8 CC(O)C(=O)NCCI 5facf5561b562fe9df389faa15b577b9 [0,2,0,0,0,0|2,0,0]=4 794 B8R0.8 CC(O)C(=O)NCCO 6eae43744294511500b3285e9523f49e [0,2,0,0,0,0|2,0,0]=4 795 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,2,0,0,0,0|2,0,0]=4 796 B8R0.8 CC(S)C(=O)NCCBr 126071a5e51b1b4d749efb8373eb23f1 [0,2,0,0,0,0|2,0,0]=4 797 B8R0.8 CC(S)C(=O)NCCF bd1e9d5683d56052e1e5cebd3f28f61a [0,2,0,0,0,0|2,0,0]=4 798 B8R0.8 CC(S)C(=O)NCCI d038059eeddb4ba2e800fd8c5ef18be5 [0,2,0,0,0,0|2,0,0]=4 799 B8R0.8 CC(S)C(=O)NCCO 3004d33b884c289d9839660aa24797db [0,2,0,0,0,0|2,0,0]=4 800 B8R0.8 CC(S)C(=O)NCCS 94de661ebd08e98861fe24c1031e17a2 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,2,0,0,0,0|1,0,0]=3 802 B8R0.8 CCCNC(=O)C(=O)N 13b9d7246a4f43d25f7b6094605e09c1 [0,2,0,0,0,0|2,0,0]=4 803 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,2,0,0,0,0|1,0,0]=3 804 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,2,0,0,0,0|1,0,0]=3 805 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,2,0,0,0,0|1,0,0]=3 806 B8R0.8 CCCNC(=O)C(F)F 071dc3f73dcbda1779f15b4fb1ae3271 [0,2,0,0,0,0|2,0,0]=4 807 B8R0.8 CCCNC(=O)C(O)O 1935daac569a1d73c1bfec746173b734 [0,2,0,0,0,0|2,0,0]=4 808 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,2,0,0,0,0|1,0,0]=3 809 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,2,0,0,0,0|1,0,0]=3 810 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,2,0,0,0,0|1,0,0]=3 811 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,2,0,0,0,0|1,0,0]=3 812 B8R0.8 CCNCC(=O)N(C)C cbb9e14980a25920980b7a9bd2e1ff0d [0,2,0,0,0,0|1,0,0]=3 813 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,2,0,0,0,0|1,0,0]=3 814 B8R0.8 CN(C)C(=O)CNCF 995a01d774effc285f46d6754b581835 [0,2,0,0,0,0|2,0,0]=4 815 B8R0.8 CN(C)C(=O)CNCO 96d5a62ee0387bff5870c231652b10bc [0,2,0,0,0,0|2,0,0]=4 816 B8R0.8 CN(C)C(=O)COCF 2eb473ab3b971690a1d108e40a5614a8 [0,2,0,0,0,0|2,0,0]=4 817 B8R0.8 C[C@@H](F)C(=O)NCCI 3800b05361fad7ddfa1629fce9d20fa0 [0,2,0,0,0,0|2,0,0]=4 818 B8R0.8 C[C@@H](F)C(=O)NCCO d7174fc5c801463ae00a56232eff941a [0,2,0,0,0,0|2,0,0]=4 819 B8R0.8 C[C@@H](F)C(=O)NCCS 749fd7706d0ec6e0daade6c7e1cd3708 [0,2,0,0,0,0|2,0,0]=4 820 B8R0.8 C[C@@H](O)C(=O)NCCF a16414928601b2d6fce8684097146547 [0,2,0,0,0,0|2,0,0]=4 821 B8R0.8 C[C@@H](O)C(=O)NCCI 12bd14996ece1fc55d11b04df696dca9 [0,2,0,0,0,0|2,0,0]=4 822 B8R0.8 C[C@@H](O)C(=O)NCCO 35de042b0d140c54bda91feb1cdb127d [0,2,0,0,0,0|2,0,0]=4 823 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,2,0,0,0,0|2,0,0]=4 824 B8R0.8 C[C@H](F)C(=O)NCCI 5f656c51ae2dfaf00b4ef9a34c71ecd6 [0,2,0,0,0,0|2,0,0]=4 825 B8R0.8 C[C@H](F)C(=O)NCCO 3757477e5dbeaeb7bd7368631f26cff2 [0,2,0,0,0,0|2,0,0]=4 826 B8R0.8 C[C@H](F)C(=O)NCCS 768c95e6a0f1ac131a654b3bd54857ca [0,2,0,0,0,0|2,0,0]=4 827 B8R0.8 C[C@H](O)C(=O)NCCF 9cb153874861efa121a2a3efd64f7b30 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.8 C[C@H](O)C(=O)NCCI fb8bee75ecdef23926c8dd96e5a8446c [0,2,0,0,0,0|2,0,0]=4 829 B8R0.8 C[C@H](O)C(=O)NCCO a8a620bab8ff63cc8d6c82762d26d446 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,2,0,0,0,0|2,0,0]=4 831 B8R0.9 C#CC(=O)NCC(C)C 1b59405d1466ebf3ed688b4fa128ca83 [0,2,0,0,0,0|1,0,1]=4 832 B8R0.9 C#CC(=O)NCC(C)O d06b1fbbe3bccdb17bbcfe3d455fa3bd [0,2,0,0,0,0|1,0,1]=4 833 B8R0.9 C#CC(=O)NC[C@@H](C)O 10b3294b5638bea9282cda41b0b922a3 [0,2,0,0,0,0|1,0,1]=4 834 B8R0.9 C#CC(=O)NC[C@H](C)O 8c9f626c9458795b5c2c126773a4669e [0,2,0,0,0,0|1,0,1]=4 835 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,2,0,0,0,0|1,0,1]=4 836 B8R0.9 C=C(CC)COC(C)C 158b3c8f8440057d90f95fd6ad44dfdf [0,2,0,0,0,0|2,0,0]=4 837 B8R0.9 C=C(COC(C)C)OC 96f850636a0fcded9cc7f40aac2f05a4 [0,2,0,0,0,0|1,0,0]=3 838 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,2,0,0,0,0|1,0,1]=4 839 B8R0.9 C=CC(=O)NCC(C)O fa01455d59425b08f532ebd991dbb1af [0,2,0,0,0,0|1,0,1]=4 840 B8R0.9 C=CC(=O)NC[C@@H](C)O 60f11a39a2f100903af1f56f3c922ad0 [0,2,0,0,0,0|1,0,1]=4 841 B8R0.9 C=CC(=O)NC[C@H](C)O c21baab8154cbdc7ba440bfa062d6fdc [0,2,0,0,0,0|1,0,1]=4 842 B8R0.9 CC(C)CNC(=O)C=O b40cc57029845c8997b7aa8efc245b60 [0,2,0,0,0,0|2,0,0]=4 843 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,2,0,0,0,0|2,0,0]=4 844 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,2,0,0,0,0|2,0,0]=4 845 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,2,0,0,0,0|2,0,0]=4 846 B8R0.9 CC(C)NCC(=O)NO d714842a0c42249cabffc4dfd5ab50bd [0,2,0,0,0,0|2,0,0]=4 847 B8R0.9 CC(O)CNC(=O)C=O a19c80ebbd3c5b0340f36c5c68b9e508 [0,2,0,0,0,0|2,0,0]=4 848 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,2,0,0,0,0|2,0,0]=4 849 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,2,0,0,0,0|2,0,0]=4 850 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,2,0,0,0,0|2,0,0]=4 851 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,2,0,0,0,0|1,0,0]=3 852 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,2,0,0,0,0|1,0,1]=4 853 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,2,0,0,0,0|1,0,0]=3 854 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,2,0,0,0,0|1,0,0]=3 855 B8R0.9 CCC(=O)NCC(F)F 4cc4f3b720e259ef94d2e9ddeae5379b [0,2,0,0,0,0|2,0,0]=4 856 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,2,0,0,0,0|1,0,0]=3 857 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,2,0,0,0,0|1,0,0]=3 858 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [0,2,0,0,0,0|1,0,1]=4 859 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,2,0,0,0,0|1,0,0]=3 860 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,2,0,0,0,0|1,0,0]=3 861 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,2,0,0,0,0|0,0,1]=3 862 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,2,0,0,0,0|0,0,0]=2 863 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,2,0,0,0,0|0,0,0]=2 864 B8R0.9 COC(C)COC(C)C e0f36ed0d37cc72967fbcb31b176fbbc [0,2,0,0,0,0|1,0,1]=4 865 B8R0.9 CO[C@@H](C)CNC(C)C eecabc1ac3a4e8ac38a6083cfc2aa6d9 [0,2,0,0,0,0|1,0,1]=4 866 B8R0.9 CO[C@@H](C)COC(C)C e5a767f401763c27f1a4b5f4477a554e [0,2,0,0,0,0|1,0,1]=4 867 B8R0.9 CO[C@H](C)CNC(C)C d8682f4f6865fec3b1570e72c54ecebc [0,2,0,0,0,0|1,0,1]=4 868 B8R0.9 CO[C@H](C)COC(C)C c1851bedfec20c17d08aaba18efdab41 [0,2,0,0,0,0|1,0,1]=4 869 B8R0.9 C[C@@H](O)CNC(=O)C=O 2603ee2d0f069eae7661384f7ee697eb [0,2,0,0,0,0|2,0,0]=4 870 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,2,0,0,0,0|2,0,0]=4 871 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,2,0,0,0,0|2,0,0]=4 872 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,2,0,0,0,0|2,0,0]=4 873 B8R0.9 C[C@H](O)CNC(=O)C=O 93688556993d21a2fc23a4f3acf54052 [0,2,0,0,0,0|2,0,0]=4 874 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,2,0,0,0,0|2,0,0]=4 875 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,2,0,0,0,0|2,0,0]=4 876 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,2,0,0,0,0|2,0,0]=4 877 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [0,2,0,0,0,0|2,0,0]=4 878 B8R0.11 CCCNC(C=O)CC 8b5e0e2daf5f0f35115de8e725402fa5 [0,2,0,0,0,0|1,0,1]=4 879 B8R0.11 CCCOC(C=O)CC 5c5bd3caba387b7aed9948606b55ead9 [0,2,0,0,0,0|1,0,1]=4 880 B8R0.11 CCN(C=O)CCCO 1400c17018da6a8c616cf48985189e21 [0,2,0,0,0,0|2,0,0]=4 881 B8R0.11 CCN(C=O)CCOC 57d3ddcf433d03a3e450ecf7301ce02d [0,2,0,0,0,0|2,0,0]=4 882 B8R0.11 CCNCC(OC)OC 26fa377ed2d7d3b7dcf0856e2500bca6 [0,2,0,0,0,0|0,0,2]=4 883 B8R0.11 CCNC[C@H](CO)OC f1b838e35b3971f2096ee819dd16e94f [0,2,0,0,0,0|0,0,2]=4 884 B8R0.11 CCOCC(CC)OC 77f87423c25a9b6cc7e7d85adf6c40fb [0,2,0,0,0,0|1,0,1]=4 885 B8R0.11 CCOCC(OC)OC b71dbc024373adcdb0cb2f1e19de9934 [0,2,0,0,0,0|0,0,2]=4 886 B8R0.25 CCNCC(C)(C)OC c3bca34b08f59550af2778bc2b8a901a [0,2,0,0,0,0|1,0,1]=4 887 B8R0.25 CCOCC(C)(C)OC b1e241064e68048b57392d53b6432a3b [0,2,0,0,0,0|1,0,1]=4 888 B8R0.15 C/C=C(\OCC)/C(=O)O ed3460e0bbe0f0b117145ec3b6c6a2c3 [0,2,0,0,0,0|2,0,0]=4 889 B8R0.15 CCCN(C=O)C(C)C 9cecb4b84cf566581125ea24b6665c66 [0,2,0,0,0,0|2,0,0]=4 890 B8R0.15 CCCN(CC)C(=O)C aaa318fb9f18848accdb9fbfd1cf28a8 [0,2,0,0,0,0|2,0,0]=4 891 B8R0.22 C#CC(CCC)OCC f22d8bf31fea2adfe9fa207ed6558425 [0,2,0,0,0,0|1,0,1]=4 892 B8R0.22 C#CC(CCC)OCF 066ad6ea4f1bb05c6805ea87622709a8 [0,2,0,0,0,0|1,0,1]=4 893 B8R0.22 C=CC(CCC)OCC 83f7ef8d30a51e1e5c4db64e2faf14e7 [0,2,0,0,0,0|1,0,1]=4 894 B8R0.22 C=CC(CCC)OCF f2ad51c370e6c1e95441feeeebf65549 [0,2,0,0,0,0|1,0,1]=4 895 B8R0.22 CCCC(C#N)OCC a338cf0a28ea8309ca076bf548560d98 [0,2,0,0,0,0|1,0,1]=4 896 B8R0.22 CCCC(C#N)OCF 265d20fb781fbc2157e4f384484b9c1b [0,2,0,0,0,0|1,0,1]=4 897 B8R0.22 CCCC(CC)OCC 2f33f90cfe6f34bcef6403a269e3e2c2 [0,2,0,0,0,0|1,0,1]=4 898 B8R0.22 CCCC(CC)OCF ce7c200aebd362fbdb26e3cffa550e7b [0,2,0,0,0,0|1,0,1]=4 899 B8R0.22 CCCN(C=O)CCC b8d16e0fe5e219991097fa7af52168fc [0,2,0,0,0,0|2,0,0]=4 900 B8R0.22 CCCN(C=O)CCO 05c7e3c748b410d220017381f77da8d3 [0,2,0,0,0,0|2,0,0]=4 901 B8R0.22 CCCN(CC)CC=O 10f91472c4600bbc31b6ae1008baca40 [0,2,0,0,0,0|2,0,0]=4 902 B8R0.22 CCCN(CC)COC 15ff08b061f9fd92278440622f990e67 [0,2,0,0,0,0|2,0,0]=4 903 B8R0.22 CCC[C@@H](CC)OCC b58a52b0075a76b2b518807461776ed4 [0,2,0,0,0,0|1,0,1]=4 904 B8R0.22 CCC[C@@H](CC)OCF 7aa5f0ec7ab4c268dbb1cc54d34ff94b [0,2,0,0,0,0|1,0,1]=4 905 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [1,0,0,1,0,0|2,0,0]=4 906 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,1,0,1,0,0|2,0,0]=4 907 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,1,0,1,0,0|1,0,0]=3 908 B8R1.1 O=C1CN(CN1)CF f13f56dc757cd85272f424d9ac53fbce [0,1,0,1,0,0|2,0,0]=4 909 B8R1.1 O=C1CN(CN1)CO e561a9f6a1ffe109b2b8eed70763223f [0,1,0,1,0,0|2,0,0]=4 910 B8R1.40 C#CC(=O)NC1CC1 da5e3817a968937fe8ebc526d822a2bb [0,1,0,1,0,0|1,0,1]=4 911 B8R1.40 C=CC(=O)NC1CC1 ae1867ae5f1dd1acb685caa201da262d [0,1,0,1,0,0|1,0,1]=4 912 B8R1.40 CCC(=O)NC1CC1 bc1edd04b4e58cbfa3a5f5c726ebfe6b [0,1,0,1,0,0|1,0,0]=3 913 B8R1.40 O=C(CF)NC1CC1 9ccf83dad7006c7283aead2cfdfd9cfa [0,1,0,1,0,0|2,0,0]=4 914 B8R1.40 O=C(CO)NC1CC1 bb096758b55cfb0505bd2d10961bc923 [0,1,0,1,0,0|2,0,0]=4 915 B8R1.40 O=C(CS)NC1CC1 47ed3dec057db245af795d634c1f00f4 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.40 O=CC(=O)NC1CC1 288abfcb7bdb635fa8f12884916c723b [0,1,0,1,0,0|2,0,0]=4 917 B8R1.10 CCNCC1CCO1 adc8bc943b2800391aa94f7416a09286 [0,1,0,1,0,0|1,0,1]=4 918 B8R1.10 CCNC[C@@H]1CCO1 9aba48d1f47470a09a7d35987a5e8ef0 [0,1,0,1,0,0|1,0,1]=4 919 B8R1.10 CCNC[C@H]1CCO1 31fbc41ff0d13846dbeceac9b5a26021 [0,1,0,1,0,0|1,0,1]=4 920 B8R1.10 CCOCC1CCO1 46f20f884871fb02e5439ea768f341df [0,1,0,1,0,0|1,0,1]=4 921 B8R1.10 CCOC[C@@H]1CCO1 8e7e4c4711f67b56ad5c5f6f6bf92524 [0,1,0,1,0,0|1,0,1]=4 922 B8R1.10 CCOC[C@H]1CCO1 4172e43302b2071a73023d12b6c9bf61 [0,1,0,1,0,0|1,0,1]=4 923 B8R1.13 CCNC1COC1C 374ee97892517da30cf5002a479f4531 [0,1,0,1,0,0|1,0,1]=4 924 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,1,0,1,0,0|1,0,0]=3 925 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.13 CCOC1COC1C 292e3380dc65ec96d8cfb63b3a1d4796 [0,1,0,1,0,0|1,0,1]=4 927 B8R1.13 O=C1CCC1OCF acbe5648e5fa1bf2d12fcf8dac78f593 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.13 O=C1NC[C@@H]1NCF 0d76b77004abe2bde2fffde83ac370da [0,1,0,1,0,0|2,0,0]=4 929 B8R1.13 O=C1NC[C@@H]1NCO 13e7ef24d5bda6a447193e9ab8c1b3ed [0,1,0,1,0,0|2,0,0]=4 930 B8R1.17 CCN[C@@H]1C[C@@H]1OC ad259a5443520644deb60f8f52443384 [0,1,0,1,0,0|1,0,1]=4 931 B8R1.38 C#CC(=O)N1CCC1 ee88789ac1776648008850b2a3fc2fcb [0,1,0,1,0,0|1,0,1]=4 932 B8R1.38 C=CC(=O)N1CCC1 d0139f7b17a74aad2f7c1656c4595cf8 [0,1,0,1,0,0|1,0,1]=4 933 B8R1.38 CCC(=O)N1CCC1 d52503cf4cfc194127f664b5bcf57565 [0,1,0,1,0,0|1,0,0]=3 934 B8R1.38 O=C(CF)N1CCC1 e1631cac567168a725b0163e106fbfc3 [0,1,0,1,0,0|2,0,0]=4 935 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,1,0,1,0,0|2,0,0]=4 936 B8R1.38 O=C(CS)N1CCC1 483ef26b984ed24bd38f07147cc524a3 [0,1,0,1,0,0|2,0,0]=4 937 B8R1.38 O=CC(=O)N1CCC1 3cd44a972429668a2e301e83de6705a9 [0,1,0,1,0,0|2,0,0]=4 938 B8R1.47 CCN1CC(C1)OC c8d6a3d95b85a0be9074dc6d9bfa1ff3 [0,1,0,1,0,0|1,0,1]=4 939 B8R1.37 CC(OCF)C1CC1 fdfda646e62029811343f42e17866105 [0,1,0,1,0,0|1,0,1]=4 940 B8R1.37 CCOC(C)C1CC1 526fc3f0c823fc41b9199d1aa6541386 [0,1,0,1,0,0|1,0,1]=4 941 B8R1.37 CCO[C@@H](C)C1CC1 b9ad01da095d4dd4d383aa1d3c7eee6a [0,1,0,1,0,0|1,0,1]=4 942 B8R1.37 CCO[C@H](C)C1CC1 9827b3948c8d24070570177d9e2b7efe [0,1,0,1,0,0|1,0,1]=4 943 B8R1.37 COCN(C)C1CC1 6dd9bf20afcc76b2166e7bbf95e1166b [0,1,0,1,0,0|2,0,0]=4 944 B8R1.37 C[C@@H](OCF)C1CC1 0b8c2a64c96de3b0209f5e698fd7dcff [0,1,0,1,0,0|1,0,1]=4 945 B8R1.37 C[C@H](OCF)C1CC1 dd71818f1bf1adfa35802aaa479603bf [0,1,0,1,0,0|1,0,1]=4 946 B8R1.6 CC1CC(C1)OCF b80ea014f54888f62d0ee22b52170730 [0,1,0,1,0,0|1,0,1]=4 947 B8R1.6 CCOC1CC(C1)C 67b3f93a8ec637ab1677a5244b5d5ac6 [0,1,0,1,0,0|1,0,1]=4 948 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,1,0,1,0,0|1,0,1]=4 949 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,1,0,1,0,0|0,0,2]=4 950 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [0,1,0,1,0,0|1,0,1]=4 951 B8R1.8 FCOC1CCCO1 341775c5b3881699fcb9a13a61611ec4 [0,1,0,1,0,0|0,0,2]=4 952 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,1,0,1,0,0|2,0,0]=4 954 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [0,1,0,1,0,0|2,0,0]=4 956 B8R1.33 CCN(C=O)C1CC1 01cfb1cb1bee8be07aafce80b6f4fac9 [0,1,0,1,0,0|2,0,0]=4