0 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 N#CNCO 96663baf465b53940bc16189393ec3f3 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 C#CC(C)NCO 3c70e727e0061dbce9cbda47181daecb [0,1,0,0,0,0|2,0,1]=4 5 B6R0.1 C#CCN(C)CO 233801036d1556dadc2fa829e2eef3b2 [0,1,0,0,0,0|3,0,0]=4 6 B6R0.1 C#C[C@@H](C)NCO 126db25e0e4cf6691fb1b82389d3a95e [0,1,0,0,0,0|2,0,1]=4 7 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,1,0,0,0,0|3,0,0]=4 10 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.1 CC(CO)NC#N b6bfa3976d2a6a9619606ed55bd1d96b [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,1,0,0,0,0|1,0,0]=2 16 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,1,0,0,0,0|2,1,0]=4 17 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,1,0,0,0,0|3,0,0]=4 21 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,1,0,0,0,0|3,0,0]=4 23 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,1,0,0,0,0|2,0,0]=3 25 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,1,0,0,0,0|2,1,0]=4 32 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,1,0,0,0,0|2,1,0]=4 35 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,1,0,0,0,0|3,0,0]=4 36 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,1,0,0,0,0|3,0,0]=4 41 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.1 CN(CO)CC#N 980602725576f2e824d0e865b4b20c78 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.1 C[C@@H](CO)NC#N 139f5cc18c10fce938a3acd4b6e91304 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.1 C[C@H](CO)NC#N 169e9f99802281ff5010262eba8da425 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,1,0,0,0,0|1,0,2]=4 51 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,1,0,0,0,0|2,1,0]=4 54 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [0,1,0,0,0,0|3,0,0]=4 55 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [0,0,0,1,0,0|3,0,0]=4 56 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,1,0,0,0,0|2,0,0]=4 58 B5R0.2 C#CCNCO 4bb795bb5acae202fad43479b44be9dd [1,1,0,0,0,0|1,0,1]=4 59 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,1,0,0,0,0|2,0,0]=4 60 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,1,0,0,0,0|2,0,0]=4 63 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,1,0,0,0,0|2,0,0]=4 64 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,1,0,0,0,0|2,0,0]=4 65 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,1,0,0,0,0|2,0,0]=4 67 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,1,0,0,0,0|1,0,0]=3 68 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,1,0,0,0,0|1,1,0]=4 69 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,1,0,0,0,0|1,1,0]=4 71 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,1,0,0,0,0|2,0,0]=4 72 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,1,0,0,0,0|2,0,0]=4 73 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [1,1,0,0,0,0|2,0,0]=4 74 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [1,1,0,0,0,0|2,0,0]=4 77 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [1,1,0,0,0,0|1,1,0]=4 78 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,1,0,0,0,0|1,1,0]=4 79 B5R0.2 N#CCNCO fd324670c11604d36c8ad9c950822402 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.2 N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,1,0,0,0,0|0,0,2]=4 82 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [1,1,0,0,0,0|0,0,0]=2 84 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [1,1,0,0,0,0|0,1,0]=3 88 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [0,2,0,0,0,0|2,0,0]=4 90 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [0,2,0,0,0,0|2,0,0]=4 92 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [0,2,0,0,0,0|2,0,0]=4 93 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [0,2,0,0,0,0|2,0,0]=4 94 B7R0.3 C#CCNC(C)CO e217aadc6ae2184f287cc75033468347 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.3 C#CCN[C@@H](C)CO be23745c4a1394ef26cd9ad9ba61e848 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.3 C#CCN[C@H](C)CO d868e6c27f5fba5003a802e374564049 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [0,2,0,0,0,0|1,0,1]=4 98 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.3 CC(CO)CNC#N f081c9853066c36f1feb71f0d0ee5f22 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [0,2,0,0,0,0|2,0,0]=4 104 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [0,2,0,0,0,0|1,0,0]=3 105 B7R0.3 CC(CO)NCC#N c15c6c891d1b54cfdcadaff4df95022a [0,2,0,0,0,0|2,0,0]=4 106 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,2,0,0,0,0|1,0,1]=4 107 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [0,2,0,0,0,0|1,1,0]=4 112 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,2,0,0,0,0|2,0,0]=4 113 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.3 CCC(O)CNC#N 812e6acb20ff52259cbcafc7e21eafbc [0,2,0,0,0,0|2,0,0]=4 118 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,2,0,0,0,0|1,0,1]=4 119 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [0,2,0,0,0,0|2,0,0]=4 120 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,2,0,0,0,0|2,0,0]=4 124 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [0,2,0,0,0,0|2,0,0]=4 126 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [0,2,0,0,0,0|2,0,0]=4 129 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [0,2,0,0,0,0|1,0,0]=3 130 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [0,2,0,0,0,0|2,0,0]=4 132 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [0,2,0,0,0,0|1,0,0]=3 134 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,2,0,0,0,0|2,0,0]=4 136 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [0,2,0,0,0,0|0,2,0]=4 138 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,2,0,0,0,0|2,0,0]=4 139 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,2,0,0,0,0|2,0,0]=4 141 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,2,0,0,0,0|2,0,0]=4 142 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,2,0,0,0,0|2,0,0]=4 143 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,2,0,0,0,0|2,0,0]=4 144 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,2,0,0,0,0|1,0,1]=4 145 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [0,2,0,0,0,0|2,0,0]=4 146 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,2,0,0,0,0|1,0,0]=3 147 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,2,0,0,0,0|2,0,0]=4 148 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,2,0,0,0,0|2,0,0]=4 149 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,2,0,0,0,0|2,0,0]=4 150 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,2,0,0,0,0|2,0,0]=4 151 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,2,0,0,0,0|2,0,0]=4 152 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.3 CN(CO)CCON 9c2ef7d0d0911f18089b0c9ab5d1316f [0,2,0,0,0,0|2,0,0]=4 154 B7R0.3 COCCN(C)CO f3ab77dcf49e4ea629dcebe32a49a2b1 [0,2,0,0,0,0|2,0,0]=4 155 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [0,2,0,0,0,0|1,0,0]=3 156 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [0,2,0,0,0,0|1,0,0]=3 157 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [0,2,0,0,0,0|1,0,0]=3 158 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,2,0,0,0,0|1,1,0]=4 160 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,2,0,0,0,0|1,1,0]=4 161 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,2,0,0,0,0|1,1,0]=4 162 B7R0.3 C[C@@H](CO)CNC#N 7a344dd06ac74d3463a9149daec39991 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.3 C[C@@H](CO)NCC#N d8554bf09d9bf0f3b9c5c96f6682e84c [0,2,0,0,0,0|2,0,0]=4 164 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [0,2,0,0,0,0|2,0,0]=4 166 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [0,2,0,0,0,0|2,0,0]=4 167 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [0,2,0,0,0,0|2,0,0]=4 168 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [0,2,0,0,0,0|1,0,0]=3 169 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [0,2,0,0,0,0|1,1,0]=4 170 B7R0.3 C[C@H](CO)CNC#N 2a6f52445ff6cd319e157e5dd9f01c27 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,2,0,0,0,0|1,0,1]=4 172 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.3 C[C@H](CO)NCC#N eeac0d90e9037dcf16f1babdaf474c04 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,2,0,0,0,0|1,0,1]=4 176 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [0,2,0,0,0,0|2,0,0]=4 178 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [0,2,0,0,0,0|1,0,0]=3 180 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [0,2,0,0,0,0|1,1,0]=4 181 B7R0.3 FCOCC(Br)CBr 7f15e80ef386e790b46d1e9fe9404558 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.3 FCOCC(Cl)CCl 1e9e33554394af661816cb29dc417019 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.3 FCOCC(S)CS 34815cee2df2ec40989f80ad6dd621e0 [0,2,0,0,0,0|0,2,0]=4 184 B7R0.3 N#CNCC(O)CF 7b3b44a9c67c4c75809e83e31d1158fc [0,2,0,0,0,0|2,0,0]=4 185 B7R0.3 N#CNCC(O)CO 1bc8ac75294ec9680f3f383005d7a739 [0,2,0,0,0,0|1,0,0]=3 186 B7R0.3 N#CNC[C@@H](O)CO 427d3d4c3a35033fd0691c96b7b53cef [0,2,0,0,0,0|1,0,0]=3 187 B7R0.3 N#CNC[C@H](O)CO f528dbe2b23bcf1aa03a29e9a45ba7f4 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,2,0,0,0,0|0,0,2]=4 189 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,2,0,0,0,0|0,0,1]=3 191 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [0,2,0,0,0,0|1,0,1]=4 192 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,2,0,0,0,0|0,0,1]=3 193 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [0,2,0,0,0,0|1,0,1]=4 194 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,2,0,0,0,0|0,0,1]=3 195 B7R0.3 OCC(F)CNCF 607206b62b5f23920999166b86623bd5 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [0,2,0,0,0,0|1,0,0]=3 197 B7R0.3 OCNCC(Br)CBr 7725489d16006f372c378046176c1017 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.3 OCNCC(F)CO d003daa9df0bedf54497bab67e067e4d [0,2,0,0,0,0|1,0,0]=3 199 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,2,0,0,0,0|0,0,0]=2 200 B7R0.3 OCNC[C@@H](F)CO a28128c9f2e18b65078fba4a8d404dfa [0,2,0,0,0,0|1,0,0]=3 201 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,2,0,0,0,0|0,0,0]=2 202 B7R0.3 OCNC[C@H](F)CO 1d5b8cea390941ee3134c3e285008ef4 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,2,0,0,0,0|0,0,0]=2 204 B7R0.3 OC[C@@H](F)CNCF 3aebdfd263b5ec6aa79bef613f450fad [0,2,0,0,0,0|2,0,0]=4 205 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [0,2,0,0,0,0|1,0,0]=3 206 B7R0.3 OC[C@H](F)CNCF a1aedce676f9a92f11db3a848c02f5ec [0,2,0,0,0,0|2,0,0]=4 207 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [0,2,0,0,0,0|1,0,0]=3 208 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [0,2,0,0,0,0|2,0,0]=4 209 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [0,2,0,0,0,0|2,0,0]=4 210 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [0,2,0,0,0,0|1,0,1]=4 212 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [0,2,0,0,0,0|2,0,0]=4 213 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.5 C[C@@H](NCO)C(F)F 38642516c345d28e61569cfbe9318217 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [0,2,0,0,0,0|1,0,1]=4 219 B7R0.5 C[C@H](NCO)C(F)F 5e56f11b7a9591f06cfba0d673d3d347 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [0,2,0,0,0,0|1,0,1]=4 221 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,2,0,0,0,0|0,0,1]=3 222 B7R0.7 CC(CC#N)NCO 285fc00c27a8813f2c741df2c2c44678 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,2,0,0,0,0|2,0,0]=4 224 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,2,0,0,0,0|1,0,0]=3 225 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,2,0,0,0,0|2,0,0]=4 226 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,2,0,0,0,0|2,0,0]=4 228 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,2,0,0,0,0|2,0,0]=4 231 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.7 CN(CCO)CCO ef0e337ef14d25ff6ba8a3c07f6d7053 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.7 COCC(C)NCF 37ce3660c3b090e9f9edd5124bcdcd9a [0,2,0,0,0,0|2,0,0]=4 238 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [0,2,0,0,0,0|1,0,0]=3 239 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,2,0,0,0,0|2,0,0]=4 240 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,2,0,0,0,0|2,0,0]=4 241 B7R0.7 COC[C@@H](C)NCF a6548424f9201b13ac58df133eb2a24a [0,2,0,0,0,0|2,0,0]=4 242 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [0,2,0,0,0,0|1,0,0]=3 243 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.7 COC[C@H](C)NCF 7304476e002e28def6ba549158f64fb0 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [0,2,0,0,0,0|1,0,0]=3 246 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,2,0,0,0,0|1,0,0]=3 249 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,2,0,0,0,0|2,0,0]=4 250 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,2,0,0,0,0|1,0,0]=3 251 B7R0.10 CCC(C)N(C)CO 1b36e6675b647f3c2b421b00c5b597a7 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.10 CCN(C)C(C)CO bebabfe649434d11c02db23f8c999491 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.10 CCN(C)[C@@H](C)CO 0928581d52d4c504aa98f7d51aa86889 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.10 CCN(C)[C@H](C)CO 9f8b649df632bf19345f656ecd33a6ed [0,2,0,0,0,0|2,0,0]=4 255 B7R0.11 CC(C)(CF)NCO c940ff355764cfdd76020cc0b4ab5253 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.11 CC(C)(CO)NCF ff77a8ad6259112da8c0c0f8599c831a [0,2,0,0,0,0|2,0,0]=4 257 B7R0.11 CC(C)(CO)NCO 578f64725530e197f863ff1a0df69a3b [0,2,0,0,0,0|1,0,0]=3 258 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.11 CCNC(C)(C)CO cfe1036a3afdbdcb353cbcf66ecedd65 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.12 C=C[C@@H](CO)NCC 2b9f74d6ae3c2b74c3cb02472da25462 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.12 C=C[C@@H](CO)NCF 45f46d0e2d45b5ffe56c443ad856d301 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.12 C=C[C@@H](CO)NCO d2fd6b67e1270056665850c4f76e47e8 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.12 CCC(CO)NC#N cb7de5b96a5581c4dc7a1322b8ea92a1 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.12 CCC(CO)NC=O 742cd9cb7df8523077fcd6bd9de1d480 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.12 CCC(CO)NCF 78a0b6c825ca62e5f537e0313224ae30 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.12 CCC(CO)NCO 3c794c1fdc16d6ba628977ba610b2f38 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.12 CCN(CO)CCO 7d4857243f6d87024376644d456f8437 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.12 CCNC(CO)CO c3e79c4c97ee2b42d70122fc2549f86f [0,2,0,0,0,0|1,0,0]=3 272 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.12 CCOC(CBr)CBr d03e7afda2ca8d59d0335adb3716d943 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.12 CCOC(CCl)CBr 76ba5a657a7ea572d523f589d344dc39 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.12 CCOC(CCl)CCl ce294a182f4713785d493074caf459e2 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.12 CCOC(CF)CF ce94a3a5b0a102e0773db6b18934a605 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.12 CCO[C@@H](CCl)CI 960e9d223c1c4a6537b1692e0aa03922 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.12 CCO[C@H](CCl)CI eaef576ad3d7bec19924ce3c27aa4ce5 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.12 CC[C@@H](CO)NC=O 637c953e48cb45b4be088640a9f26fb2 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.12 CC[C@@H](CO)NCF 839ec889c8fe0848d31935b9dbdfcd38 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.12 CC[C@@H](CO)NCO c3ea7a2fb8cac1d4f9b9352f27d46e24 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.12 CC[C@H](CO)NC=O c5c2fc5e70a5e94955887b0f6db6a1a2 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.12 CC[C@H](CO)NCF f04a8d368ea68193b9688c8e4f4f4f35 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.12 CC[C@H](CO)NCO 31d6dbcb1b8a1065d54c94ad93fd2f0d [0,2,0,0,0,0|1,0,0]=3 287 B7R0.12 FCOC(CBr)CBr 760611b5804515a02db886829643f317 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.12 FCOC(CCl)CBr 72519e805199b04a3a2f9222669bc455 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.12 FCOC(CCl)CCl 118ddee96acf874a0a1fb0d0ff930d02 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.12 FCOC(CF)CF 705408821521684268dfce4a5f529fde [0,2,0,0,0,0|2,0,0]=4 291 B7R0.12 FCO[C@@H](CCl)CI 311aefa9fd8da5acbb1bd157cd237075 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.12 FCO[C@H](CCl)CI cd5a66f48a11f01a3a244c8c713b4bbc [0,2,0,0,0,0|2,0,0]=4 293 B7R0.12 N#CNC(CO)CO b5b206fc1771a9ccc8881cf2cd7b5b70 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.12 O=CNC(CO)CO cf9304986c9a1419edf6773dbe4f0207 [0,2,0,0,0,0|0,0,1]=3 296 B7R0.12 OCC(CO)NCF dacc789514f2a3ea025a73d05b6732a8 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.12 OCCN(CO)CF 94232a15791d81cb37b410703626fccb [0,2,0,0,0,0|2,0,0]=4 298 B7R0.12 OCCN(CO)CO af187b1f9b2cead4db8e768592df40f7 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.12 OCNC(CO)CO eaa00950e285c87d17b1d0c52282992e [0,2,0,0,0,0|0,0,0]=2 300 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,1,0,1,0,0|2,0,0]=4 301 B7R1.5 OCN[C@@H]1C[C@H]1F 3df34e466ae971e7539960ae02b859ec [0,1,0,1,0,0|2,0,0]=4 302 B7R1.5 OCN[C@H]1C[C@@H]1F c189de4ce3986a31a5c69dca6c280199 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.5 OCN[C@H]1C[C@H]1F 9d9be3ca1e72afafdc1357d9fb78bbb0 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.6 CCNC1COC1 43258951421d9554a9c394ad23b1cfb7 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,1,0,1,0,0|2,0,0]=4 306 B7R1.6 FCNC1COC1 0688b607086181c74c3be657cc5d310c [0,1,0,1,0,0|2,0,0]=4 307 B7R1.6 FCOC1COC1 34c857acb95e7e5066efa9e8f851b6c5 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,1,0,1,0,0|2,0,0]=4 309 B7R1.6 OCNC1COC1 70c7bde4c76017dd84cc14dbc8c4b262 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.10 OCN1CC(C1)O 9ae7c55c7b7297a67fda8e2d11f0601d [0,1,0,1,0,0|2,0,0]=4 311 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [0,1,0,1,0,0|2,0,0]=4