0 B10R1.27 C#CC(=O)Nc1cocn1 f582c6effe9fa3e8a99595078edbb256 [0,0,1,0,0,0|2,0,1]=4 1 B10R1.27 C=CC(=O)Nc1cocn1 cf665b00580f374a14bcc7b450c772cc [0,0,1,0,0,0|2,0,0]=3 2 B10R1.27 C=CC(=O)Nc1cscn1 7e5c98617963c5b4d19c9b6f6d117a97 [0,0,1,0,0,0|2,1,0]=4 3 B10R1.27 C=CC(C)Nc1cocn1 b3553c2422a41fe9059df73b54909525 [0,0,1,0,0,0|1,0,2]=4 4 B10R1.27 CC(C=O)Nc1cocn1 9ac4d93bf008e63f4d37bf2d6180b1b6 [0,0,1,0,0,0|1,0,2]=4 5 B10R1.27 CCC(=O)Nc1cocn1 2d93b0f05fe4aaf36cb636d800a92bf5 [0,0,1,0,0,0|2,0,1]=4 6 B10R1.27 C[C@H](C=O)Nc1cocn1 061a03106c7b0df51349552a7f75dc87 [0,0,1,0,0,0|1,0,2]=4 7 B10R1.27 O=C(CF)Nc1cocn1 a16f59e93cde147ab533dc28819b6d81 [0,0,1,0,0,0|2,0,1]=4 8 B10R1.27 O=C(CO)Nc1cocn1 b8553395cb3e855ded3c09361c07be6a [0,0,1,0,0,0|2,0,1]=4 9 B10R1.27 O=C(CS)Nc1cocn1 856019594de1955fc2c981ac293446ca [0,0,1,0,0,0|2,0,1]=4 10 B10R1.27 O=CC(=O)Nc1cocn1 1fb3a57e96a512747f9735b6942649ab [0,0,1,0,0,0|2,0,0]=3 11 B10R1.27 O=CC(=O)Nc1cscn1 bebe5a412238edd694943fa3fab21dd8 [0,0,1,0,0,0|2,1,0]=4 12 B9R1.12 C=CCNc1cocn1 b94d2470b1d0c692246ebaa4f15c1fc7 [1,0,1,0,0,0|1,0,1]=4 13 B9R1.12 O=CCNc1cocn1 d39f7e50656af0661ead6cb79ad14799 [1,0,1,0,0,0|1,0,1]=4 14 B9R1.13 CC(=O)Nc1cocn1 4089e82890500e24c2afb0f19306f425 [1,0,1,0,0,0|1,0,1]=4 15 B11R1.30 C/C=C/C(=O)Nc1cocn1 67a33dffe9bab7774c38da71e6caf119 [0,1,1,0,0,0|2,0,0]=4 16 B11R1.30 C=CCC(=O)Nc1cocn1 4a13328ed4a8ffdfd1b5fa09f707cd76 [0,1,1,0,0,0|2,0,0]=4 17 B11R1.30 O=C(/C=C/Br)Nc1cocn1 c27efd1e5652fbb5df6deb7bb368c2d3 [0,1,1,0,0,0|2,0,0]=4 18 B11R1.30 O=C(/C=C/Cl)Nc1cocn1 0377031621a44dca8462619fcf522a90 [0,1,1,0,0,0|2,0,0]=4 19 B11R1.30 O=C(/C=C/I)Nc1cocn1 5208aa03e2bddc248dfc219f14420b80 [0,1,1,0,0,0|2,0,0]=4 20 B11R1.30 O=C(/C=C\Br)Nc1cocn1 9abfc04d4fb3c760c091fba911051426 [0,1,1,0,0,0|2,0,0]=4 21 B11R1.30 O=C(/C=C\Cl)Nc1cocn1 e4411424c40c89d97bfb0ba626fc9578 [0,1,1,0,0,0|2,0,0]=4 22 B11R1.30 O=C(/C=C\I)Nc1cocn1 8ca464e918693c1212323e3a721c2d0f [0,1,1,0,0,0|2,0,0]=4 23 B11R1.30 O=C(C=CBr)Nc1cocn1 855ba3a2be4ea5f79e2039db9e7803de [0,1,1,0,0,0|2,0,0]=4 24 B11R1.30 O=C(C=CI)Nc1cocn1 a0fb8afe8da6699516b34dc2be59a687 [0,1,1,0,0,0|2,0,0]=4 25 B11R1.30 O=CCC(=O)Nc1cocn1 8aaad5747380fe8aa8cae419138ac710 [0,1,1,0,0,0|2,0,0]=4 26 B11R1.35 C=C(Br)C(=O)Nc1cocn1 88f20965ad4d9ad3f2e03a215482523f [0,1,1,0,0,0|2,0,0]=4 27 B11R1.35 C=C(C)C(=O)Nc1cocn1 69d9f19cb4e29b9f4696237838dfc4d8 [0,1,1,0,0,0|2,0,0]=4 28 B11R1.35 C=C(Cl)C(=O)Nc1cocn1 5295f62aaadbce7c5d139dad177232b1 [0,1,1,0,0,0|2,0,0]=4 29 B11R1.35 C=C(F)C(=O)Nc1cocn1 83c094c2d22d3b39e03121ed115dbfe3 [0,1,1,0,0,0|2,0,0]=4 30 B11R1.35 CC(=O)C(=O)Nc1cocn1 5295045455e85875580c215077356818 [0,1,1,0,0,0|2,0,0]=4 31 B11R1.35 NC(=O)C(=O)Nc1cocn1 45573b656bb23115af1f8ee46df32e9b [0,1,1,0,0,0|1,0,1]=4 32 B11R1.84 O=CC(C=O)Nc1cocn1 98ef509a1a11f99e5bddc1da3100cb48 [0,1,1,0,0,0|1,0,1]=4 33 B11R1.180 CC=CCNc1ncoc1C 7eb78407830c2255dcc41b6197e7c789 [0,1,1,0,0,0|1,0,1]=4 34 B13R2.449 O=CNc1ccc2ncoc2c1 f521cfb85caac5ee55f644a3e12fadef [0,1,0,0,0,1|2,0,0]=4 35 B13R2.449 O=CNc1ccc2ocnc2c1 ddacb6b9c1a0a9d90ed711c88644f9d4 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.25 C=C(C#N)CNc1cocn1 ad7564e7179103c86eab1823eaf61245 [0,0,1,0,0,1|0,0,2]=4 37 B11R1.25 C=C(C=O)OCc1cocn1 d217778735a849ee4d30a08d14b74c08 [0,0,1,0,0,1|2,0,0]=4 38 B11R1.25 C=C(CC)CNc1cocn1 4ff49282aec589eaf57e82c9608c40ae [0,0,1,0,0,1|1,0,1]=4 39 B11R1.25 C=C(CNc1cocn1)OC 0cc234a55b8620146386e86e42a680b7 [0,0,1,0,0,1|2,0,0]=4 40 B11R1.25 C=C(CO)CNc1cocn1 7069ebf1c940f8fcbfc68651bf3bed98 [0,0,1,0,0,1|1,0,1]=4 41 B11R1.25 C=CC(=O)NCc1cocn1 2dcd60ce957950692dfb3f1179669e2b [0,0,1,0,0,1|2,0,0]=4 42 B11R1.25 Cl/C=C(\Cl)/CNc1cocn1 d38c8ab664bce87306f4bcba63c19d92 [0,0,1,0,0,1|2,0,0]=4 43 B11R1.25 O=CC(=O)NCc1cocn1 e08aa49212a5e936ff04b9142077bbdc [0,0,1,0,0,1|2,0,0]=4 44 B8R1.8 O=CNc1cocn1 fa7501fc60eefe5acd9d7f72446662b1 [2,0,1,0,0,0|1,0,0]=4 45 B10R1.21 C/C=C/CNc1cocn1 8a53ed752bb3b2d542a538f50bc308d7 [1,1,1,0,0,0|1,0,0]=4 46 B10R1.21 C/C=C\CNc1cocn1 ecea3e06c48fc790ff6b64b46d5bbb2a [1,1,1,0,0,0|1,0,0]=4 47 B10R1.21 CC=CCNc1cocn1 8f4f1d0d08ad2fca41ab25d0c9b7c20a [1,1,1,0,0,0|1,0,0]=4 48 B10R1.21 Cl/C=C/CNc1cocn1 a330776ef51b350647773b5a42d18ff5 [1,1,1,0,0,0|1,0,0]=4 49 B10R1.21 Cl/C=C\CNc1cocn1 323012ac4168c4616f3fc89847eaf751 [1,1,1,0,0,0|1,0,0]=4 50 B10R1.21 O/C=C\CNc1cocn1 effc7a84d1fccc0ac9cb6fd5fdb1d985 [1,1,1,0,0,0|1,0,0]=4 51 B12R1.264 C=C(CNc1cocn1)C(=O)O 24eb9e77ccdad66d970fee86bd269544 [0,1,1,0,0,1|1,0,0]=4 52 B12R2.6 Cc1cnc(s1)c2cnco2 c48b801098984f7b945765502394f2c5 [0,0,1,1,0,1|1,0,0]=4 53 B12R2.6 Nc1cnc(s1)c2ccco2 c92d88966ca599ab4dfc3b55383a53c6 [0,0,1,1,0,1|1,0,0]=4 54 B12R2.6 Nc1cnc(s1)c2cncs2 2be9757c29f7d8e45283cf379b3f1411 [0,0,1,1,0,1|0,1,0]=4 55 B12R2.6 Nc1cnc(s1)c2nnco2 775996ee99ed666e6d25093f76656fd7 [0,0,1,1,0,1|1,0,0]=4 56 B12R2.6 Nc1nnc(s1)c2cnco2 fa7039b4a74442ce7dd7afbcc7fe561f [0,0,1,1,0,1|1,0,0]=4 57 B12R2.10 Cc1ocnc1c2cnco2 647f2d8e3d039d24d5607847143c31fd [0,1,1,1,0,0|1,0,0]=4 58 B12R2.10 Nc1c[nH]nc1c2ccco2 528e1dce622dc774e1230cc30fb9a9fd [0,1,1,1,0,0|1,0,0]=4 59 B12R2.10 Nc1c[nH]nc1c2cncs2 49ac2ba5942941c6fd89a1ec20ce9fce [0,1,1,1,0,0|0,1,0]=4 60 B12R2.10 Nc1c[nH]nc1c2nnco2 b7fb1591462dcd46c7be9b034bd7f016 [0,1,1,1,0,0|1,0,0]=4 61 B12R2.10 Nc1nsnc1c2cnco2 c01ea5647284d29e3ef5c223ac79ee26 [0,1,1,1,0,0|1,0,0]=4 62 B12R2.98 c1cc(co1)Nc2cncs2 2b62a0eb962b2b7f1fe7d793fa32398a [0,1,1,1,0,0|1,0,0]=4 63 B12R2.98 c1cc(co1)Nc2cnoc2 5e585d54908515f1cda243c8c9e2f277 [0,1,1,1,0,0|1,0,0]=4 64 B12R2.98 c1cc(co1)Nc2cnsc2 ec7eb98e904c04a81e77d11a9d05d648 [0,1,1,1,0,0|1,0,0]=4 65 B12R2.98 c1cc(co1)Nc2cocn2 8ac442e749d7a7e9daabf8a6ac4137aa [0,1,1,1,0,0|1,0,0]=4 66 B12R2.98 c1cc(on1)Nc2cocn2 aad346f05b9d78506331970574b536b9 [0,1,1,1,0,0|1,0,0]=4 67 B12R2.98 c1cc(sn1)Nc2cocn2 7eda9d8e23123fb830748f89fa01000a [0,1,1,1,0,0|1,0,0]=4 68 B12R2.98 c1coc(c1)Nc2cocn2 60f29934897bfe48a8fe40ab345f85ef [0,1,1,1,0,0|1,0,0]=4 69 B12R2.98 c1csc(c1)Nc2cocn2 8d8830fe722e767b64535855b2725458 [0,1,1,1,0,0|1,0,0]=4 70 B12R2.98 c1nc(c[nH]1)Nc2cncs2 4db92ed0ba5d798a3bfde7c61cdd4ddc [0,1,1,1,0,0|1,0,0]=4 71 B12R2.98 c1nc(c[nH]1)Nc2cnoc2 48f06f6dffeee3f2755a871e84532993 [0,1,1,1,0,0|1,0,0]=4 72 B12R2.98 c1nc(c[nH]1)Nc2cnsc2 9112631f1aed9fb8ed18cabc7c5c53b3 [0,1,1,1,0,0|1,0,0]=4 73 B12R2.98 c1nc(c[nH]1)Nc2cocn2 b07f560e26bc5e5fcd6112f7cf7b5b65 [0,1,1,1,0,0|0,0,1]=4 74 B12R2.98 c1nc(co1)Nc2c[nH]nn2 3c01e0409e2a7351c26c26c4dfe3ed60 [0,1,1,1,0,0|1,0,0]=4 75 B12R2.98 c1nc(co1)Nc2ccsc2 f0837ab6c6a21a40e7e9431bb40a4954 [0,1,1,1,0,0|1,0,0]=4 76 B12R2.98 c1nc(co1)Nc2cn[nH]c2 45277f1424b019188809522c8c9288e7 [0,1,1,1,0,0|0,0,0]=3 77 B12R2.98 c1nc(co1)Nc2cncs2 e50d1ca49b1ef6808a61d38f4261bf31 [0,1,1,1,0,0|0,0,0]=3 78 B12R2.98 c1nc(co1)Nc2cnoc2 011935ca151cb0d4b58b48de9eecf13b [0,1,1,1,0,0|0,0,0]=3 79 B12R2.98 c1nc(co1)Nc2cnsc2 ce95091b2924fa9a8fa667633444a69e [0,1,1,1,0,0|0,0,0]=3 80 B12R2.98 c1nc(co1)Nc2cnsn2 6d9325232643223d5e47fbbeb5c5fa83 [0,1,1,1,0,0|1,0,0]=4 81 B12R2.98 c1nc(co1)Nc2cocn2 01c76151c1b9aea7430c689a29ee07e8 [0,1,1,1,0,0|1,0,0]=4 82 B12R2.98 c1nc(co1)Nc2cscn2 cc129dfe15970f397b58b270129a6b56 [0,1,1,1,0,0|1,0,0]=4 83 B12R2.98 c1nc(co1)Nc2csnn2 cd332fdd1c5e3646a58fa82fee0f472c [0,1,1,1,0,0|1,0,0]=4 84 B12R2.98 c1nc(co1)Nc2nnco2 2495f78ae00d87cd7ffa3ea06e079f39 [0,1,1,1,0,0|1,0,0]=4 85 B12R2.98 c1nc(co1)Nc2nncs2 46d209c8b945648c9485be5a92fac233 [0,1,1,1,0,0|1,0,0]=4 86 B12R2.98 c1nc(cs1)Nc2cnoc2 d8a846f79f20216734addf54144c129b [0,1,1,1,0,0|0,1,0]=4 87 B12R2.98 c1nc(cs1)Nc2cnsc2 a97a8ca76739b9018f4b6d23e0af4faa [0,1,1,1,0,0|0,1,0]=4 88 B12R2.98 c1nc(no1)Nc2cnoc2 1e6f685207cb5ee652b005d79112bf9c [0,1,1,1,0,0|1,0,0]=4 89 B12R2.98 c1nsc(n1)Nc2cocn2 06fdc1d34ac51cdac70bd573799bd9ff [0,1,1,1,0,0|1,0,0]=4