0 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [0,0,1,0,0,0|3,0,0]=4 1 B10R1.4 CCNc1cccnc1Br a2373bd4dbeea9e96613175b1fa389be [0,2,0,0,0,0|2,0,0]=4 2 B10R1.4 CCNc1cccnc1C aa29ce1aae1cb0173cce32ed6de53439 [0,2,0,0,0,0|1,0,0]=3 3 B10R1.4 CCNc1cccnc1Cl cabaa73226660203e29d27ac34157732 [0,2,0,0,0,0|2,0,0]=4 4 B10R1.4 CCNc1cccnc1F 1c26bd9832ea7353d5986c5b2a82ebeb [0,2,0,0,0,0|2,0,0]=4 5 B10R1.4 CCNc1cccnc1I aa60c46f7fe874be857c1ace71f86b31 [0,2,0,0,0,0|2,0,0]=4 6 B10R1.4 CCNc1ccnnc1C b89b8af7958b7cd2d083023eee6d381c [0,2,0,0,0,0|2,0,0]=4 7 B10R1.4 CCNc1cncnc1C c780de3350d8a4ea3afb5887d12adc9b [0,2,0,0,0,0|2,0,0]=4 8 B10R1.4 CCNc1ncccc1Br c725f87792bbf69d61dad0e1008718dc [0,2,0,0,0,0|2,0,0]=4 9 B10R1.4 CCNc1ncccc1C a7fd36b27f175706adc74e2aac7526d2 [0,2,0,0,0,0|1,0,0]=3 10 B10R1.4 CCNc1ncccc1Cl 38db51258030951890daf204f7ed0b90 [0,2,0,0,0,0|2,0,0]=4 11 B10R1.4 CCNc1ncccc1F 708bbe73960ac127c7a4adb5124c7937 [0,2,0,0,0,0|2,0,0]=4 12 B10R1.4 CCNc1ncccc1I 816a15b4e18519781f24dc419625ba99 [0,2,0,0,0,0|2,0,0]=4 13 B10R1.4 CCNc1nccnc1Br 2d907f4bd6f02c9cef277fbcf41c453b [0,2,0,0,0,0|1,0,0]=3 14 B10R1.4 CCNc1nccnc1C 3a642966a1abe913b5ad08a3a9152c71 [0,2,0,0,0,0|0,0,0]=2 15 B10R1.4 CCNc1nccnc1Cl e6a9b6e484a84024d5e12240604a943c [0,2,0,0,0,0|1,0,0]=3 16 B10R1.4 CCNc1nccnc1I 4c45ef2dd2308c7078fb2cb28ca195b4 [0,2,0,0,0,0|1,0,0]=3 17 B10R1.4 CCNc1ncncc1C 43473af78e8552e155b26029efd11eef [0,2,0,0,0,0|2,0,0]=4 18 B10R1.4 CCNc1nnccc1C 691f3c86375c4bbd77548a51226e95ba [0,2,0,0,0,0|2,0,0]=4 19 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [0,2,0,0,0,0|2,0,0]=4 20 B10R1.4 CCOc1cccnc1Br 08b45b24e31de1110a9d86520664a434 [0,2,0,0,0,0|2,0,0]=4 21 B10R1.4 CCOc1cccnc1C 0260c4935677d055d800178e37d974b6 [0,2,0,0,0,0|1,0,0]=3 22 B10R1.4 CCOc1cccnc1Cl 684709ad9eeb4a1f4f9e4a19760d89be [0,2,0,0,0,0|2,0,0]=4 23 B10R1.4 CCOc1cccnc1F eb46cca158e1b62d818714a01a5af0f3 [0,2,0,0,0,0|2,0,0]=4 24 B10R1.4 CCOc1cccnc1I 792b0a09e935918385422ce79b947b91 [0,2,0,0,0,0|2,0,0]=4 25 B10R1.4 CCOc1cncnc1C ae58a7be391f847fd7fcfb6c7cbd61b8 [0,2,0,0,0,0|2,0,0]=4 26 B10R1.4 CCOc1ncccc1Br f4383148a14f49cafea4eeb34cba2f7d [0,2,0,0,0,0|2,0,0]=4 27 B10R1.4 CCOc1ncccc1C e8543da7a575b70db65e7933cc01e850 [0,2,0,0,0,0|1,0,0]=3 28 B10R1.4 CCOc1ncccc1Cl 4590ed1a2376b9070dd9165912ca6275 [0,2,0,0,0,0|2,0,0]=4 29 B10R1.4 CCOc1ncccc1F a8635691cfd51eb96b174213d32b56ee [0,2,0,0,0,0|2,0,0]=4 30 B10R1.4 CCOc1nccnc1Br e4d444716c2ebf53c1141d98c73fd09e [0,2,0,0,0,0|1,0,0]=3 31 B10R1.4 CCOc1nccnc1C 51150a087141b1b997c624a726b47861 [0,2,0,0,0,0|0,0,0]=2 32 B10R1.4 CCOc1ncncc1C a024efe8fb00db7ba69958a60fccd3f1 [0,2,0,0,0,0|2,0,0]=4 33 B10R1.4 CCOc1nnccc1C c18a8624109f039b80ba9ad6e855516b [0,2,0,0,0,0|2,0,0]=4 34 B10R1.4 Cc1ccccc1OCF 8baad2379a58970c56de2a8d01203209 [0,2,0,0,0,0|2,0,0]=4 35 B10R1.4 Cc1cccnc1NC=O eddc5748a2e62b33a5566ebe9e562102 [0,2,0,0,0,0|1,0,1]=4 36 B10R1.4 Cc1cccnc1NCF a50507f84ba24efa08f9b480ecf323d7 [0,2,0,0,0,0|1,0,0]=3 37 B10R1.4 Cc1cccnc1NCO b9826d2a8449ec373392c9bb98cfc60e [0,2,0,0,0,0|1,0,0]=3 38 B10R1.4 Cc1cccnc1OCF 5dd471f10667f5296180df2f634c17da [0,2,0,0,0,0|1,0,0]=3 39 B10R1.4 Cc1ccnnc1NCF 67bc46a778f627c216cbe3e9ef7022c5 [0,2,0,0,0,0|2,0,0]=4 40 B10R1.4 Cc1ccnnc1NCO f84caaf9b6d21df079793e4cbf879057 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.4 Cc1ccnnc1OCF da6ffbfb02b140ce7a46e96fc903189a [0,2,0,0,0,0|2,0,0]=4 42 B10R1.4 Cc1cncnc1NCO ca1c64b6e743bc13e67b608cbc9e222f [0,2,0,0,0,0|2,0,0]=4 43 B10R1.4 Cc1cncnc1OCF 15d70d1080a7e6fa4acd29ca63e12c54 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.4 Cc1ncccc1NC=O 7a06f216539d990da9cb44ab6e9b0c87 [0,2,0,0,0,0|1,0,1]=4 45 B10R1.4 Cc1ncccc1NCF 811f0102399d1828b22fe489d7a22ddb [0,2,0,0,0,0|1,0,0]=3 46 B10R1.4 Cc1ncccc1NCO 2163da6c3951ac44c1be417e09664d52 [0,2,0,0,0,0|1,0,0]=3 47 B10R1.4 Cc1ncccc1OCF 5bc55fc04a01d4a91e7fbd84fd947089 [0,2,0,0,0,0|1,0,0]=3 48 B10R1.4 Cc1nccnc1NC=O 8a484b3cbf5462e9e715573d77acff31 [0,2,0,0,0,0|0,0,1]=3 49 B10R1.4 Cc1nccnc1NCF 75f59e3232eacc54a7d91ec4a824414b [0,2,0,0,0,0|0,0,0]=2 50 B10R1.4 Cc1nccnc1NCO b7efb285f742fc426f6d2f93fedaca5c [0,2,0,0,0,0|0,0,0]=2 51 B10R1.4 Cc1nccnc1OCF 63364eacb2362dc6d4479f9c92ad80c8 [0,2,0,0,0,0|0,0,0]=2 52 B10R1.4 Cc1ncncc1NCO 93665cbde74a24c33608f61db671f6c5 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.4 Cc1ncncc1OCF c01b5e76af4816e8c6e8576ca724b5d8 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.4 Cc1nnccc1NCF 9d7a2a0f882537f913d8e9ebe4f78264 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.4 Cc1nnccc1NCO 9f9f1200c59cec52393a521506539045 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.4 FCNc1cccnc1Br 257ea0f7c5fea2905789e1f360396f08 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.4 FCNc1cccnc1Cl a5a484ca3cbc7be99993c52cc07f21db [0,2,0,0,0,0|2,0,0]=4 58 B10R1.4 FCNc1cccnc1F e0f0f84116dfdaf85dd004b1ee9e779b [0,2,0,0,0,0|2,0,0]=4 59 B10R1.4 FCNc1cccnc1I faec914d99bc802b42e56135a7ca633e [0,2,0,0,0,0|2,0,0]=4 60 B10R1.4 FCNc1ncccc1Br ff127c6c3b6cc03a6158a26130c7ceb9 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.4 FCNc1ncccc1Cl ee7f62322d6173d33104d3a3ad3410de [0,2,0,0,0,0|2,0,0]=4 62 B10R1.4 FCNc1ncccc1F dd1e716905807c717718076244f092d6 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.4 FCNc1ncccc1I a562e497b86b300b35ecae48de722972 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.4 FCNc1nccnc1Br 04a99016cbf67fa52501d1285a1447ad [0,2,0,0,0,0|1,0,0]=3 65 B10R1.4 FCNc1nccnc1Cl 357d900716526fc9324068a46fc29f08 [0,2,0,0,0,0|1,0,0]=3 66 B10R1.4 FCNc1nccnc1I 1be940700b57ecfe0817736c83a9371c [0,2,0,0,0,0|1,0,0]=3 67 B10R1.4 FCOc1cccnc1Br 61d12b0f266165b87123c22de77ab591 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.4 FCOc1cccnc1Cl a634614515cfce5111bbed326e3d2843 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.4 FCOc1cccnc1F b70e8d0c73b322628c78b1d6ffaf8db3 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.4 FCOc1cccnc1I 600c68a945224bbca21cf419446c3ed1 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.4 FCOc1ncccc1Br 3158c5616a8a0c4303904be077035407 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.4 FCOc1ncccc1Cl 2c7f9a4204d7a10bfe25c8e8ac38c90d [0,2,0,0,0,0|2,0,0]=4 73 B10R1.4 FCOc1ncccc1F 7486a90e33b2c0d774a0bcb0fd24b075 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.4 FCOc1nccnc1Br c9ce18167d32936c5a4e3ee5e5ce276f [0,2,0,0,0,0|1,0,0]=3 75 B10R1.4 O=CNc1nccnc1Cl 089829ebd9959dba49b3132f62071166 [0,2,0,0,0,0|1,0,1]=4 76 B10R1.4 O=CNc1nccnc1I 2e10bdd171dce7454b75c79e3055667b [0,2,0,0,0,0|1,0,1]=4 77 B10R1.4 O=CNc1nccnc1O 9b1c055dbb00f06f2fbd37bb73cd7aa1 [0,2,0,0,0,0|1,0,1]=4 78 B10R1.4 OCNc1cccnc1Br 7e757b1b55f902889855879ddc522fb0 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.4 OCNc1cccnc1Cl 698ab8db9bc7be3255bc7380ce9aaa39 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.4 OCNc1cccnc1F fa95074763d1b79d4379cbccbf606177 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.4 OCNc1cccnc1I 24ae1d254ba17b837d586845f299b407 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.4 OCNc1ncccc1Br 77f1d94fff1c3354e71f7578b9db6e71 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.4 OCNc1ncccc1Cl 256af2a4e5339bf92fd701c592729960 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.4 OCNc1ncccc1F dba34b55d72c76512ea1914953015207 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.4 OCNc1ncccc1I f23791fb28fbf315ed36948d7065f414 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.4 OCNc1nccnc1Br 7af049698c29a358d0876489e041db17 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.4 OCNc1nccnc1Cl cbb688ed77e7f2172670808df4fc3df7 [0,2,0,0,0,0|1,0,0]=3 88 B10R1.4 OCNc1nccnc1I 9575c4b17a9e104d2c49002bcf42a737 [0,2,0,0,0,0|1,0,0]=3