0 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.2 N#CNCO 96663baf465b53940bc16189393ec3f3 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 C#CC(C)NCO 3c70e727e0061dbce9cbda47181daecb [0,1,0,0,0,0|2,0,1]=4 6 B6R0.1 C#CCN(C)C=O ddfa5ba776054c2a7c5ce6a0cde7a3ee [0,1,0,0,0,0|2,0,1]=4 7 B6R0.1 C#C[C@@H](C)NCO 126db25e0e4cf6691fb1b82389d3a95e [0,1,0,0,0,0|2,0,1]=4 8 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,0,0,0,0|2,0,0]=3 19 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,1,0,0,0,0|3,0,0]=4 20 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,1,0,0,0,0|2,0,1]=4 22 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,1,0,0,0,0|3,0,0]=4 23 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,1,0,0,0,0|2,1,0]=4 25 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.1 CN(C=O)CC#N a7a395c841bf1c778a7b432155652f5f [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,0,0,0,0|1,0,0]=2 31 B6R0.1 CN(CF)CCF 3637d23f051ca2593a5a5b98ee47a1b5 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.1 N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.1 N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,1,0,0,0,0|2,0,1]=4 39 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,1,0,0,0,0|1,0,1]=3 42 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.4 C=C(Br)CNCF 7c97187d15161b8d316e611ae308f21e [0,1,0,0,0,0|2,0,1]=4 44 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.4 C=C(Br)COCF 692f2becec52dcdf557b19f93fe68748 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.4 C=C(C)CNC#N d9b89b4c8025f48614cd8e95d5f70606 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,1,0,0,0,0|1,0,2]=4 49 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,1,0,0,0,0|2,0,0]=3 50 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,1,0,0,0,0|2,0,0]=3 51 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,1,0,0,0,0|2,0,0]=3 54 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.4 C=C(Cl)COCF ca79da42122b4115d17b6448109deb3c [0,1,0,0,0,0|2,0,1]=4 56 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,1,0,0,0,0|2,0,1]=4 57 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.4 C=C(I)COCF 7e74b05c12bc279148db4a6a8dd56e90 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,1,0,0,0,0|0,0,2]=3 60 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,1,0,0,0,0|0,0,0]=1 62 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,1,0,0,0,0|1,0,0]=2 66 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,1,0,0,0,0|1,0,0]=2 67 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,1,0,0,0,0|0,0,0]=1 68 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,1,0,0,0,0|0,1,0]=2 69 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [0,1,0,0,0,0|1,0,1]=3 71 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [0,1,0,0,0,0|2,0,1]=4 74 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [0,1,0,0,0,0|2,0,1]=4 75 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [0,1,0,0,0,0|1,0,1]=3 76 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,1,0,0,0,0|1,1,1]=4 77 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [0,1,0,0,0,0|2,0,1]=4 78 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,1,0,0,0,0|1,1,1]=4 79 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,1,0,0,0,0|0,0,2]=3 82 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [0,1,0,0,0,0|1,1,1]=4 83 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,1,0,0,0,0|1,0,0]=2 84 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,1,0,0,0,0|2,0,1]=4 90 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,1,0,0,0,0|1,0,0]=2 94 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,1,0,0,0,0|2,0,0]=3 95 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,1,0,0,0,0|2,1,0]=4 97 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,1,0,0,0,0|2,0,1]=4 98 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,1,0,0,0,0|1,1,1]=4 100 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,1,0,0,0,0|2,0,1]=4 104 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [0,1,0,0,0,0|1,0,2]=4 106 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,1,0,0,0,0|0,0,2]=3 107 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [0,1,0,0,0,0|2,0,1]=4 108 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,1,0,0,0,0|0,0,2]=3 110 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,1,0,0,0,0|1,0,2]=4 113 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,1,0,0,0,0|2,0,0]=3 114 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,1,0,0,0,0|1,0,0]=2 115 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,1,0,0,0,0|2,0,0]=3 116 B6R0.4 NC(=S)COCF 656cb42c290d81f49517967a9160e9b8 [0,1,0,0,0,0|2,1,0]=4 117 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,1,0,0,0,0|2,0,0]=3 118 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.4 OCNCC(F)F 3ed4ca35ec506c3014c6127dbef8f462 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.5 CC(C)(C)NCO 98c610d421d69102d9fd33b99f13912a [0,1,0,0,0,0|2,0,1]=4 123 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [0,0,0,1,0,0|2,0,1]=4 124 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,1,0,0,0,0|1,0,0]=3 125 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,1,0,0,0,0|2,0,0]=4 126 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.2 C#CCNCO 4bb795bb5acae202fad43479b44be9dd [1,1,0,0,0,0|0,0,2]=4 129 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,1,0,0,0,0|1,0,0]=3 130 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,1,0,0,0,0|0,0,1]=3 133 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,1,0,0,0,0|1,0,1]=4 134 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,1,0,0,0,0|1,0,1]=4 138 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,1,0,0,0,0|0,0,1]=3 139 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,1,0,0,0,0|0,1,1]=4 140 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,1,0,0,0,0|0,1,1]=4 142 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,1,0,0,0,0|1,0,1]=4 143 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,1,0,0,0,0|2,0,0]=4 144 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [1,1,0,0,0,0|2,0,0]=4 145 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [1,1,0,0,0,0|2,0,0]=4 147 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [1,1,0,0,0,0|2,0,0]=4 148 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [1,1,0,0,0,0|1,1,0]=4 149 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,1,0,0,0,0|1,1,0]=4 150 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [1,1,0,0,0,0|1,0,1]=4 151 B5R0.2 N#CCNCO fd324670c11604d36c8ad9c950822402 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.2 N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,1,0,0,0,0|1,0,0]=3 155 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,1,0,0,0,0|1,0,0]=3 156 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,1,0,0,0,0|0,0,0]=2 158 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,1,0,0,0,0|0,1,0]=3 159 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [1,1,0,0,0,0|1,0,0]=3 161 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [1,1,0,0,0,0|0,1,1]=4 165 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [0,2,0,0,0,0|1,0,1]=4 166 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [0,2,0,0,0,0|1,0,1]=4 167 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [0,2,0,0,0,0|1,0,1]=4 168 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,2,0,0,0,0|2,0,0]=4 169 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,2,0,0,0,0|1,0,1]=4 170 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,2,0,0,0,0|0,0,0]=2 172 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,2,0,0,0,0|0,0,0]=2 173 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,2,0,0,0,0|0,0,0]=2 174 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [0,2,0,0,0,0|1,0,1]=4 178 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [0,2,0,0,0,0|1,0,0]=3 180 B7R0.2 CC(O)CN(C)CF c09526189cafd23891f682c66649d125 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [0,2,0,0,0,0|0,0,2]=4 182 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,2,0,0,0,0|1,0,0]=3 183 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,2,0,0,0,0|2,0,0]=4 184 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,2,0,0,0,0|2,0,0]=4 185 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [0,2,0,0,0,0|2,0,0]=4 187 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.2 CN(C=O)CC(F)F 404a25a6927f94afdcbf48eb95fbc13d [0,2,0,0,0,0|2,0,0]=4 191 B7R0.2 CN(CF)CC(=O)N 35f09c99eb4485b888503c93a96568a5 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.2 CN(CO)CC(=O)N 731e626c7cf4b35c02c8b97f3321d2b5 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [0,2,0,0,0,0|1,0,0]=3 195 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [0,2,0,0,0,0|1,0,0]=3 196 B7R0.2 C[C@H](O)CN(C)CF 5a09021deee6ed4ea8f52ce12dc22c90 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [0,2,0,0,0,0|0,0,2]=4 198 B7R0.3 C#CC(=O)NCCBr 4e7606b090d079dad338fcb3b3531ca6 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.3 C#CC(=O)NCCF 0890b45106e9e8df323c27183e746605 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.3 C#CC(=O)NCCI b79a2019875390d416fe2aefcbe1af43 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,2,0,0,0,0|0,0,1]=3 203 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [0,2,0,0,0,0|0,1,1]=4 204 B7R0.3 C#CC(C)NCCO bbba0c1d2ecd1db2e38885169cb41ae5 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.3 C#CCCN(C)C=O 125766f3203296343dccf9d807927bcd [0,2,0,0,0,0|2,0,0]=4 206 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,2,0,0,0,0|1,0,1]=4 207 B7R0.3 C#CCNC(=O)CF eb4eda342cbed92c949eab745f85779c [0,2,0,0,0,0|1,0,1]=4 208 B7R0.3 C#CCNC(=O)CO 2c93e118ea6c2ce38cf0db5343c819bd [0,2,0,0,0,0|1,0,1]=4 209 B7R0.3 C#CCNC(=O)CS cd4e37f8b8830653a130a09363dce8f6 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.3 C#C[C@@H](C)NCCO e9414cfb46cc033f4806e66f84d2f19c [0,2,0,0,0,0|1,0,1]=4 211 B7R0.3 C#C[C@H](C)NCCO 1a07e9f5216c88dd837e816c5c857fca [0,2,0,0,0,0|1,0,1]=4 212 B7R0.3 C/C(=C\I)/COCF fbb2d4ba845303b213c9d89902813b40 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,2,0,0,0,0|1,0,1]=4 214 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,2,0,0,0,0|1,0,1]=4 215 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,2,0,0,0,0|0,1,1]=4 216 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,2,0,0,0,0|1,0,1]=4 218 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,2,0,0,0,0|1,0,1]=4 219 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,2,0,0,0,0|1,0,1]=4 220 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,2,0,0,0,0|0,0,1]=3 222 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,2,0,0,0,0|0,1,1]=4 223 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.3 CC(=CI)COCF e6e0a6a2b924cee37e772cc08be340ea [0,2,0,0,0,0|2,0,0]=4 226 B7R0.3 CC(C#N)CNCO cdcd1d8e558d8fe031d84eda06590263 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.3 CC(C#N)NCCO 55b7405319dad98407f3509b935a08d4 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,2,0,0,0,0|1,0,1]=4 229 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,2,0,0,0,0|1,0,1]=4 230 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,2,0,0,0,0|1,0,1]=4 231 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,2,0,0,0,0|0,0,1]=3 232 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,2,0,0,0,0|0,1,1]=4 233 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,2,0,0,0,0|0,1,1]=4 235 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [0,2,0,0,0,0|0,0,2]=4 236 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [0,2,0,0,0,0|0,0,2]=4 237 B7R0.3 CCC(=O)CNC#N 5c4d1d2cbca480d29fea538bd5160350 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,2,0,0,0,0|1,0,0]=3 239 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,2,0,0,0,0|1,0,0]=3 243 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,2,0,0,0,0|0,0,0]=2 244 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,2,0,0,0,0|0,1,0]=3 245 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,2,0,0,0,0|1,0,1]=4 246 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,2,0,0,0,0|0,0,2]=4 248 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,2,0,0,0,0|2,0,0]=4 249 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,2,0,0,0,0|1,0,1]=4 250 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,2,0,0,0,0|1,0,0]=3 252 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,2,0,0,0,0|1,0,0]=3 253 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,2,0,0,0,0|1,0,1]=4 256 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,2,0,0,0,0|1,0,1]=4 257 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.3 CCN(C)CCON dca6e8ee84d04b2409e73b61f0963e17 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,2,0,0,0,0|1,0,0]=3 262 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,2,0,0,0,0|2,0,0]=4 263 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,2,0,0,0,0|1,0,0]=3 264 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,2,0,0,0,0|1,0,0]=3 267 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,2,0,0,0,0|0,0,2]=4 271 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,2,0,0,0,0|1,0,1]=4 272 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,2,0,0,0,0|1,0,1]=4 273 B7R0.3 CN(C=O)CCC#N c9fb209356e5efd88139356a9a10ffcc [0,2,0,0,0,0|2,0,0]=4 274 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,2,0,0,0,0|1,0,0]=3 275 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [0,2,0,0,0,0|2,0,0]=4 277 B7R0.3 CN(CF)CCON b28b71744b9420d3fe5bec0f9f3e697f [0,2,0,0,0,0|2,0,0]=4 278 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.3 CN(CO)CCON 9c2ef7d0d0911f18089b0c9ab5d1316f [0,2,0,0,0,0|1,0,1]=4 280 B7R0.3 CNC(=O)CNC#N 7ba4abe3fad3b11746e82f87bf46d0a1 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,2,0,0,0,0|0,0,2]=4 282 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,2,0,0,0,0|1,0,0]=3 283 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,2,0,0,0,0|0,0,0]=2 284 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,2,0,0,0,0|1,0,0]=3 285 B7R0.3 COC(=O)CNC#N 05f4cf7e93aff5d764fa5ad76ede0782 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,2,0,0,0,0|0,0,2]=4 287 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,2,0,0,0,0|1,0,0]=3 288 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,2,0,0,0,0|0,0,0]=2 289 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.3 COCCN(C)CF cbc818a22d9e0a334cc2dbb905dc990d [0,2,0,0,0,0|2,0,0]=4 292 B7R0.3 COCCN(C)CO f3ab77dcf49e4ea629dcebe32a49a2b1 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,2,0,0,0,0|1,0,1]=4 294 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [0,2,0,0,0,0|0,0,2]=4 296 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [0,2,0,0,0,0|0,0,2]=4 297 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,2,0,0,0,0|1,1,0]=4 298 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [0,2,0,0,0,0|0,0,2]=4 299 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,2,0,0,0,0|1,0,1]=4 302 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,2,0,0,0,0|0,0,1]=3 303 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,2,0,0,0,0|0,1,1]=4 304 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,2,0,0,0,0|1,0,1]=4 305 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,2,0,0,0,0|0,1,1]=4 306 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [0,2,0,0,0,0|0,0,2]=4 307 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [0,2,0,0,0,0|0,0,2]=4 308 B7R0.3 N#CCNC(=O)CF 22102b1fd1778f1d4d858f860cd4e7f5 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.3 N#CCNC(=O)CO 8dbd9904ced2105da92f338ff81f2cd3 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.3 N#CCNC(=O)CS 86a7da4cf1eaa1e98a4819073113dcc9 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.3 N#CNCC(=O)CO 70d7ce6c717a89b56589c42b1345533c [0,2,0,0,0,0|1,0,1]=4 312 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,2,0,0,0,0|0,0,0]=2 316 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,2,0,0,0,0|0,1,0]=3 317 B7R0.3 O=C(CNCF)NO 56dda9ea00f77e2491394a26c36ddff8 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [0,2,0,0,0,0|1,0,0]=3 319 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,2,0,0,0,0|1,0,0]=3 320 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,2,0,0,0,0|1,0,0]=3 321 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,2,0,0,0,0|1,0,0]=3 322 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,2,0,0,0,0|0,0,0]=2 323 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,2,0,0,0,0|0,1,0]=3 324 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,2,0,0,0,0|1,0,0]=3 325 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,2,0,0,0,0|1,0,0]=3 326 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,2,0,0,0,0|0,0,0]=2 328 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,2,0,0,0,0|0,1,0]=3 329 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,2,0,0,0,0|1,0,1]=4 330 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,2,0,0,0,0|1,0,1]=4 331 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,2,0,0,0,0|1,0,1]=4 332 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,2,0,0,0,0|0,0,1]=3 333 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,2,0,0,0,0|0,1,1]=4 334 B7R0.3 OCNCC(Br)CBr 7725489d16006f372c378046176c1017 [0,2,0,0,0,0|1,0,1]=4 335 B7R0.3 OCNCC(F)CO d003daa9df0bedf54497bab67e067e4d [0,2,0,0,0,0|1,0,1]=4 336 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,2,0,0,0,0|0,0,2]=4 337 B7R0.3 OCNC[C@@H](F)CO a28128c9f2e18b65078fba4a8d404dfa [0,2,0,0,0,0|1,0,1]=4 338 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,2,0,0,0,0|0,0,2]=4 339 B7R0.3 OCNC[C@H](F)CO 1d5b8cea390941ee3134c3e285008ef4 [0,2,0,0,0,0|1,0,1]=4 340 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,2,0,0,0,0|0,0,2]=4 341 B7R0.5 C#CCN(C)C(=O)C 4c2838202c8d4a7447032fb8e60c10bd [0,2,0,0,0,0|1,0,1]=4 342 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.5 CC(=O)C(C)NC#N e4d49c900f9d6cdb7977169c84d66254 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,2,0,0,0,0|1,0,0]=3 345 B7R0.5 CC(=O)N(C)CC#N cce5ba08a0b5b4e42f2a8adc17c92fd8 [0,2,0,0,0,0|1,0,1]=4 346 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,2,0,0,0,0|0,0,0]=2 348 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [0,2,0,0,0,0|1,0,1]=4 349 B7R0.5 CC(C)N(C)CCO 81a28f5ee4f12e11b2d2f617ef1d3581 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [0,2,0,0,0,0|1,0,1]=4 351 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.5 CC(NCF)C(=O)N f0a5cc6cd244223372790316f7e61f94 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [0,2,0,0,0,0|2,0,0]=4 354 B7R0.5 CC(NCO)C(=O)N f8080c17d94f9bd121a85d094899f029 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [0,2,0,0,0,0|1,0,0]=3 356 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,2,0,0,0,0|0,0,2]=4 357 B7R0.5 CC(OCF)C(=O)N 6a877ba17ca7a0aa924ab8a787d3d31c [0,2,0,0,0,0|2,0,0]=4 358 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,2,0,0,0,0|2,0,0]=4 359 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,2,0,0,0,0|1,0,0]=3 360 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,2,0,0,0,0|2,0,0]=4 366 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,2,0,0,0,0|1,0,0]=3 368 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,2,0,0,0,0|2,0,0]=4 369 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,2,0,0,0,0|2,0,0]=4 370 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,2,0,0,0,0|2,0,0]=4 371 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,2,0,0,0,0|2,0,0]=4 372 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.5 C[C@@H](NCF)C(=O)N fc8e15aaec185b1ab510ce9a3e07d389 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.5 C[C@@H](NCO)C(=O)N 40aeb7a188f95caf183e4558e0c9a7d0 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,2,0,0,0,0|2,0,0]=4 379 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,2,0,0,0,0|2,0,0]=4 380 B7R0.5 C[C@H](NCF)C(=O)N ec9ad2764694c43582e2759286389cce [0,2,0,0,0,0|2,0,0]=4 381 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [0,2,0,0,0,0|2,0,0]=4 382 B7R0.5 C[C@H](NCO)C(=O)N e220146cab979067711359ee78003370 [0,2,0,0,0,0|1,0,0]=3 383 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [0,2,0,0,0,0|1,0,0]=3 384 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,2,0,0,0,0|2,0,0]=4 385 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [0,2,0,0,0,0|2,0,0]=4 387 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,2,0,0,0,0|1,0,0]=3 388 B7R0.7 C#CCN(C)CCO 2ad3b74ccac932faf05fc96ebabb73e8 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,2,0,0,0,0|2,0,0]=4 390 B7R0.7 CC(CCO)NC#N e70b82d41e1ede507c7c5722bde31959 [0,2,0,0,0,0|1,0,1]=4 391 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,2,0,0,0,0|0,0,1]=3 392 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,2,0,0,0,0|1,0,1]=4 393 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,2,0,0,0,0|0,0,2]=4 394 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [0,2,0,0,0,0|1,0,1]=4 395 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,2,0,0,0,0|1,1,0]=4 396 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [0,2,0,0,0,0|1,1,0]=4 397 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,2,0,0,0,0|2,0,0]=4 399 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,2,0,0,0,0|1,0,1]=4 401 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,2,0,0,0,0|1,0,1]=4 402 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,2,0,0,0,0|1,0,1]=4 403 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.7 CN(CC#N)CCO da549d8b05a367d96c2eb82090c24747 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.7 CN(CCO)CCF 423bb7df0641cc2b0b9f40d044f22314 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.7 CN(CCO)CCO ef0e337ef14d25ff6ba8a3c07f6d7053 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [0,2,0,0,0,0|1,1,0]=4 410 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,2,0,0,0,0|1,0,1]=4 411 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,2,0,0,0,0|1,1,0]=4 412 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,2,0,0,0,0|0,0,1]=3 413 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,2,0,0,0,0|1,0,1]=4 414 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,2,0,0,0,0|0,0,2]=4 415 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,2,0,0,0,0|0,0,1]=3 416 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,2,0,0,0,0|1,0,1]=4 417 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,2,0,0,0,0|0,0,2]=4 418 B7R0.7 N#CNC(=O)CCF 2d38b0a901d33b11182071085ffedd88 [0,2,0,0,0,0|1,0,1]=4 419 B7R0.7 N#CNC(=O)CCO 21159348c5eb316e27f10d66411c699d [0,2,0,0,0,0|0,0,1]=3 420 B7R0.7 N#CNC(=O)CCS 4c8d70dcb6c079601a678239569cd2dc [0,2,0,0,0,0|0,1,1]=4 421 B7R0.10 CC(CO)N(C)C=O 4659927dd4489ef42e67e78276d3b1b4 [0,2,0,0,0,0|1,0,0]=3 422 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,2,0,0,0,0|2,0,0]=4 423 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,2,0,0,0,0|2,0,0]=4 424 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,2,0,0,0,0|2,0,0]=4 426 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.10 CCN(C)C(C)CO bebabfe649434d11c02db23f8c999491 [0,2,0,0,0,0|2,0,0]=4 428 B7R0.10 CCN(C)[C@@H](C)CO 0928581d52d4c504aa98f7d51aa86889 [0,2,0,0,0,0|2,0,0]=4 429 B7R0.10 CCN(C)[C@H](C)CO 9f8b649df632bf19345f656ecd33a6ed [0,2,0,0,0,0|2,0,0]=4 430 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [0,2,0,0,0,0|1,0,0]=3 431 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [0,2,0,0,0,0|1,0,0]=3 432 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [0,2,0,0,0,0|2,0,0]=4 433 B7R0.12 CCN(C=O)CCCl 03512ce3018e8845973ab6d439faef81 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [0,2,0,0,0,0|1,0,0]=3 435 B7R0.12 CCN(CC)CCO 3ebc0ce6d105088470f67e45ca611640 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.12 CCN(CF)CCO 94620f9ce7407b818d47be3cba0eb6a5 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.12 CCN(CO)CCO 7d4857243f6d87024376644d456f8437 [0,2,0,0,0,0|1,0,1]=4 438 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [0,2,0,0,0,0|1,0,0]=3 439 B7R0.12 OCCN(CO)CF 94232a15791d81cb37b410703626fccb [0,2,0,0,0,0|1,0,1]=4 440 B7R0.12 OCCN(CO)CO af187b1f9b2cead4db8e768592df40f7 [0,2,0,0,0,0|1,0,1]=4 441 B7R0.9 CC(=O)NC(C)(C)C a1c7999946c2b3954cecc4a7e85b6160 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,2,0,0,0,0|2,0,0]=4 443 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,2,0,0,0,0|1,0,0]=3 444 B7R0.4 C#CCNCC(=C)C eb0c35234badabfcd3c166c71613f230 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.4 C#CCNCC(=O)N 192103ba8fad459d76fc07062abce874 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [0,2,0,0,0,0|2,0,0]=4 448 B7R0.4 C#CCOCC(=C)C 0bc01d270f03a65c7ca43642aedfcda7 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,2,0,0,0,0|1,0,0]=3 450 B7R0.4 C#CCOCC(=O)N f47bf366ca2d3d6c4b78dcc521793da1 [0,2,0,0,0,0|2,0,0]=4 451 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,2,0,0,0,0|2,0,0]=4 452 B7R0.4 C/C(=C/COCF)/Cl ccb17a4eecc3091faafab504472f0bc7 [0,2,0,0,0,0|1,0,1]=4 453 B7R0.4 C/C(=C/COCF)/I 3c1d6b60b36a518dc432453d68bfeeb4 [0,2,0,0,0,0|1,0,1]=4 454 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,2,0,0,0,0|1,0,1]=4 455 B7R0.4 C=C(Br)CCOCF ea4ba58a0dda0d4ff610398e2a49e354 [0,2,0,0,0,0|1,0,1]=4 456 B7R0.4 C=C(Br)CNCCO 00225027954a340a3118d5c001a92b30 [0,2,0,0,0,0|1,0,1]=4 457 B7R0.4 C=C(Br)CNCOC c5da0ade2f26605ee229f8e69e435818 [0,2,0,0,0,0|1,0,1]=4 458 B7R0.4 C=C(Br)COCOC 07b1b57eb717a0955e8242d74555e9c9 [0,2,0,0,0,0|1,0,1]=4 459 B7R0.4 C=C(C)CCNC#N 91c6e1f8d173a3f2de73326c577834f4 [0,2,0,0,0,0|2,0,0]=4 460 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [0,2,0,0,0,0|1,0,1]=4 461 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,2,0,0,0,0|2,0,0]=4 462 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,2,0,0,0,0|1,0,0]=3 464 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,2,0,0,0,0|1,0,0]=3 465 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,2,0,0,0,0|1,0,0]=3 466 B7R0.4 C=C(C)CNCC#N 76a6ad7e00f4e270a79d1117e4c441a4 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [0,2,0,0,0,0|1,0,1]=4 468 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,2,0,0,0,0|2,0,0]=4 471 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,2,0,0,0,0|2,0,0]=4 472 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,2,0,0,0,0|1,1,0]=4 474 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,2,0,0,0,0|1,1,0]=4 476 B7R0.4 C=C(C)COCC#N 003a80dc4db062561188210b3f291dbe [0,2,0,0,0,0|2,0,0]=4 477 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [0,2,0,0,0,0|1,0,1]=4 478 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,2,0,0,0,0|2,0,0]=4 479 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,2,0,0,0,0|2,0,0]=4 480 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,2,0,0,0,0|1,1,0]=4 481 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,2,0,0,0,0|1,0,0]=3 482 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,2,0,0,0,0|1,1,0]=4 483 B7R0.4 C=C(Cl)CNCCO 6a611a7eb068d7dde6e67ecabe81bad2 [0,2,0,0,0,0|1,0,1]=4 484 B7R0.4 C=C(Cl)COCOC e9c971b961a0dc4c5fdf312f58d6132b [0,2,0,0,0,0|1,0,1]=4 485 B7R0.4 C=C(F)CNCCO 9267c34bfc2d6383ea073c0636587814 [0,2,0,0,0,0|1,0,1]=4 486 B7R0.4 C=C(F)COCOC 22d1787a226644b1c135149de6654075 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.4 C=C(I)COCOC ab47bd677ec4bd30c526b4cd90bad9b3 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,2,0,0,0,0|1,0,0]=3 489 B7R0.4 C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,2,0,0,0,0|1,0,0]=3 491 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [0,2,0,0,0,0|2,0,0]=4 492 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [0,2,0,0,0,0|2,0,0]=4 494 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,2,0,0,0,0|1,0,0]=3 495 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,2,0,0,0,0|2,0,0]=4 496 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,2,0,0,0,0|2,0,0]=4 497 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [0,2,0,0,0,0|1,0,1]=4 498 B7R0.4 CC(=CCNCF)C 3984891f07cfe78b7ee7bd273d4f999d [0,2,0,0,0,0|2,0,0]=4 499 B7R0.4 CC(=CCNCO)C cd77ec809019dfe355bce493304b24df [0,2,0,0,0,0|1,0,0]=3 500 B7R0.4 CC(=CCOCF)C c25b592aef4d9f50b5494c475de951b8 [0,2,0,0,0,0|1,0,1]=4 501 B7R0.4 CC(=CCOCF)I ba2122f4ea4634e790cdf077ca544e33 [0,2,0,0,0,0|1,0,1]=4 502 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [0,2,0,0,0,0|1,0,0]=3 503 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,2,0,0,0,0|0,0,0]=2 504 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,2,0,0,0,0|1,0,0]=3 505 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,2,0,0,0,0|0,0,1]=3 506 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,2,0,0,0,0|1,0,0]=3 507 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,2,0,0,0,0|0,0,0]=2 508 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,2,0,0,0,0|0,1,0]=3 509 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,2,0,0,0,0|1,0,0]=3 510 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,2,0,0,0,0|0,0,1]=3 511 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,2,0,0,0,0|1,0,0]=3 512 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,2,0,0,0,0|0,1,0]=3 513 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,2,0,0,0,0|1,0,0]=3 514 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,2,0,0,0,0|1,0,0]=3 515 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,2,0,0,0,0|0,0,0]=2 516 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,2,0,0,0,0|0,0,0]=2 517 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,2,0,0,0,0|1,0,0]=3 518 B7R0.4 CC(=O)OCNC#N 09ae158eda2ed3ea4692af8a683aae11 [0,2,0,0,0,0|1,0,1]=4 519 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [0,2,0,0,0,0|1,0,1]=4 520 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [0,2,0,0,0,0|1,0,1]=4 521 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [0,2,0,0,0,0|1,0,1]=4 523 B7R0.4 CC(C)NCCON 0430106bca7b178ac757feef5057edc3 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [0,2,0,0,0,0|0,0,2]=4 525 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [0,2,0,0,0,0|0,0,2]=4 526 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,2,0,0,0,0|1,0,1]=4 527 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,2,0,0,0,0|1,0,0]=3 528 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,2,0,0,0,0|1,0,0]=3 529 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,2,0,0,0,0|1,0,0]=3 532 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,2,0,0,0,0|2,0,0]=4 533 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,2,0,0,0,0|2,0,0]=4 534 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,2,0,0,0,0|2,0,0]=4 536 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,2,0,0,0,0|2,0,0]=4 537 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [0,2,0,0,0,0|1,0,1]=4 539 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [0,2,0,0,0,0|1,0,1]=4 540 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [0,2,0,0,0,0|1,0,1]=4 541 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [0,2,0,0,0,0|1,0,1]=4 542 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,2,0,0,0,0|0,0,0]=2 543 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,2,0,0,0,0|1,0,0]=3 544 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,2,0,0,0,0|1,0,1]=4 546 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,2,0,0,0,0|2,0,0]=4 547 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,2,0,0,0,0|1,0,0]=3 548 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,2,0,0,0,0|2,0,0]=4 549 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,2,0,0,0,0|2,0,0]=4 551 B7R0.4 CN(C)CCNCO bd0d691a6fbaf02bba808128b7b4eb38 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.4 CN(C)CCOCF 8b70b7812206c4d5ded6c185d6862be3 [0,2,0,0,0,0|2,0,0]=4 553 B7R0.4 CN(C)CNCCO da608adf367147e04fa4316e70ab8593 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,2,0,0,0,0|0,0,0]=2 555 B7R0.4 COCCNC(C)C 0e10ac0a5c18c9b5426d9b26a3199f23 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [0,2,0,0,0,0|1,0,1]=4 557 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,2,0,0,0,0|0,0,0]=2 558 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,2,0,0,0,0|1,0,0]=3 559 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,2,0,0,0,0|1,0,0]=3 560 B7R0.4 COCNCC(C)C 8a41f842449ec7e26a630827b8975a34 [0,2,0,0,0,0|1,0,1]=4 561 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,2,0,0,0,0|0,0,2]=4 562 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,2,0,0,0,0|0,0,2]=4 563 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,2,0,0,0,0|0,0,2]=4 564 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,2,0,0,0,0|0,0,0]=2 565 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,2,0,0,0,0|1,0,0]=3 566 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,2,0,0,0,0|1,0,0]=3 567 B7R0.4 COCOCC(=S)N ee294cd5168f479d523c3c4651082b74 [0,2,0,0,0,0|1,1,0]=4 568 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [0,2,0,0,0,0|1,0,1]=4 569 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [0,2,0,0,0,0|1,0,1]=4 570 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [0,2,0,0,0,0|0,1,1]=4 571 B7R0.4 COCOCN(C)C 2b73113c43069b14e14fe8858206fc7d [0,2,0,0,0,0|2,0,0]=4 572 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,2,0,0,0,0|2,0,0]=4 573 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [0,2,0,0,0,0|1,0,1]=4 574 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [0,2,0,0,0,0|1,0,1]=4 575 B7R0.4 COCOC[N+](=O)[O-] 54bbc30812908559dc136bad18aef36a [0,2,0,0,0,0|2,0,0]=4 576 B7R0.4 CS(=O)CCNC#N 79eac4119530a3a593bcb64787572bbe [0,2,0,0,0,0|2,0,0]=4 577 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [0,2,0,0,0,0|2,0,0]=4 579 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,2,0,0,0,0|1,0,0]=3 581 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,2,0,0,0,0|0,1,0]=3 582 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,2,0,0,0,0|0,1,0]=3 583 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,2,0,0,0,0|1,1,0]=4 584 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,2,0,0,0,0|1,1,0]=4 585 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,2,0,0,0,0|0,1,0]=3 586 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,2,0,0,0,0|1,1,0]=4 587 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,2,0,0,0,0|1,1,0]=4 588 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [0,2,0,0,0,0|0,0,2]=4 589 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [0,2,0,0,0,0|0,0,2]=4 590 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [0,2,0,0,0,0|0,0,2]=4 591 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [0,2,0,0,0,0|0,0,2]=4 592 B7R0.4 N#CCNCC(=O)N 1b074661588ba0117e64361bcac47550 [0,2,0,0,0,0|2,0,0]=4 593 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.4 N#CCOCC(=O)N 063b71e1d1d2f59285f81ab951f41740 [0,2,0,0,0,0|2,0,0]=4 595 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,2,0,0,0,0|2,0,0]=4 596 B7R0.4 N#CNCCC(=O)N 8dd90bc67de63e662194ecc9ed95a453 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [0,2,0,0,0,0|2,0,0]=4 598 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,2,0,0,0,0|2,0,0]=4 600 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,2,0,0,0,0|1,0,0]=3 601 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,2,0,0,0,0|1,0,0]=3 602 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,2,0,0,0,0|1,0,0]=3 607 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,2,0,0,0,0|1,1,0]=4 608 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,2,0,0,0,0|2,0,0]=4 610 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,2,0,0,0,0|1,1,0]=4 611 B7R0.4 NC(=O)NCOCF 223fa95252602925b8cb08f5b19a776e [0,2,0,0,0,0|2,0,0]=4 612 B7R0.4 NC(=S)CCNCO b1a1fcd18ad0532e4bcb643182feba55 [0,2,0,0,0,0|1,1,0]=4 613 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,2,0,0,0,0|2,0,0]=4 614 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,2,0,0,0,0|1,0,0]=3 616 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,2,0,0,0,0|2,0,0]=4 617 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,2,0,0,0,0|1,0,0]=3 620 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,2,0,0,0,0|1,1,0]=4 621 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,2,0,0,0,0|2,0,0]=4 622 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,2,0,0,0,0|1,1,0]=4 623 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,2,0,0,0,0|1,0,1]=4 625 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [0,2,0,0,0,0|2,0,0]=4 626 B7R0.4 O=[N+]([O-])CCOCF 048ee64abce7b74ac8debb2e802099ad [0,2,0,0,0,0|2,0,0]=4 627 B7R0.4 O=[N+]([O-])CNCCO 69325ec3c6bcdbf7a6cebb6b1eb9806b [0,2,0,0,0,0|2,0,0]=4 628 B7R0.6 C=C(Br)CNC(=O)C c92ce6fe27dbf36b4b4cd43120064bb5 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,2,0,0,0,0|2,0,0]=4 631 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,2,0,0,0,0|2,0,0]=4 632 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,2,0,0,0,0|0,0,2]=4 633 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,2,0,0,0,0|1,0,0]=3 635 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,2,0,0,0,0|0,0,2]=4 636 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,2,0,0,0,0|0,0,0]=2 638 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,2,0,0,0,0|1,0,0]=3 639 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,2,0,0,0,0|0,0,0]=2 640 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,2,0,0,0,0|0,0,0]=2 641 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,2,0,0,0,0|2,0,0]=4 642 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [0,2,0,0,0,0|1,0,1]=4 644 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [0,2,0,0,0,0|1,0,1]=4 645 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,2,0,0,0,0|2,0,0]=4 647 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.8 CC(C)(C)CNCO c1ca679419b7e4db6816982a0d672727 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.8 CC(C)(C)NCCO 75b47887fe68bbe774c0a4c47f9d7af9 [0,2,0,0,0,0|1,0,1]=4 650 B7R0.8 CC(C)(O)CNCO d699f26def379d72c9f3d780e8ba9c29 [0,2,0,0,0,0|0,0,2]=4 651 B7R0.8 O=S(=O)(O)CNCO 423f9b4bc47552a40f5125b8cb5a3832 [0,2,0,0,0,0|2,0,0]=4 652 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,1,0,1,0,0|1,1,0]=4 653 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,1,0,1,0,0|1,0,1]=4 654 B7R1.5 OCN[C@@H]1C[C@H]1F 3df34e466ae971e7539960ae02b859ec [0,1,0,1,0,0|1,0,1]=4 655 B7R1.5 OCN[C@H]1C[C@@H]1F c189de4ce3986a31a5c69dca6c280199 [0,1,0,1,0,0|1,0,1]=4 656 B7R1.5 OCN[C@H]1C[C@H]1F 9d9be3ca1e72afafdc1357d9fb78bbb0 [0,1,0,1,0,0|1,0,1]=4 657 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [0,1,0,1,0,0|2,0,0]=4 658 B7R1.10 CCN1CC(C1)O 64169be24f24ac0d0d4e63cfda9c5a6f [0,1,0,1,0,0|2,0,0]=4 659 B7R1.10 O=CN1CC(C1)F 10673579aa5b90bc9fa1305ce11b0f6e [0,1,0,1,0,0|2,0,0]=4 660 B7R1.10 O=CN1CC(C1)O c56a5fb25f079a78b4196509b3241e16 [0,1,0,1,0,0|1,0,0]=3 661 B7R1.10 OC1CN(C1)CF 00533f4df47086d1b9435610d4d9a2c0 [0,1,0,1,0,0|2,0,0]=4 662 B7R1.10 OCN1CC(C1)F 19e43561c9bc42c0c5d943ae8dadd218 [0,1,0,1,0,0|1,0,1]=4 663 B7R1.10 OCN1CC(C1)O 9ae7c55c7b7297a67fda8e2d11f0601d [0,1,0,1,0,0|0,0,2]=4 664 B7R1.22 CN(C=O)C1CC1 928f5a4e3607cba3f0183c684f92be70 [0,1,0,1,0,0|2,0,0]=4 665 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,1,0,1,0,0|1,0,0]=3 666 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,1,0,1,0,0|1,0,0]=3 667 B7R1.23 CC1(CN1CO)C e0279fee84fe6f7f5186cbf1fccd93be [0,1,0,1,0,0|1,0,1]=4 668 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [0,1,0,1,0,0|1,0,1]=4 669 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [0,1,0,1,0,0|1,0,1]=4