0 B16R2.94 CCNc1cc(ccn1)N2CCOCC2 f7f8127a90d993f898f109df77ce7304 [0,0,1,0,0,0|2,0,1]=4 1 B16R2.94 CCNc1cc(ncn1)N2CCCCC2 50c0afb4f5d7a254a8dce43ba60084e7 [0,0,1,0,0,0|2,0,1]=4 2 B16R2.94 CCNc1cc(ncn1)N2CCOCC2 c6c38c229647657988bb76cb020c0eba [0,0,1,0,0,0|1,0,1]=3 3 B16R2.94 CCNc1ccnc(c1)N2CCOCC2 f0b5ddfbe775d2dab222e486c0907617 [0,0,1,0,0,0|2,0,1]=4 4 B16R2.94 CCNc1ncnc(n1)N2CCOCC2 9429cf90b8219bbd82261db93db88473 [0,0,1,0,0,0|2,0,1]=4 5 B16R2.94 FCNc1cc(ccn1)N2CCOCC2 c394a179789cf59b4eeb7b39ac398649 [0,0,1,0,0,0|2,0,1]=4 6 B16R2.94 FCNc1cc(ncn1)N2CCCCC2 4f8102a590cf62ef8bd86bf1cd393d59 [0,0,1,0,0,0|2,0,1]=4 7 B16R2.94 FCNc1cc(ncn1)N2CCOCC2 6a76f5b157a6bd11042bdfa17879832f [0,0,1,0,0,0|1,0,1]=3 8 B16R2.94 FCNc1ccnc(c1)N2CCOCC2 0b47981771c45e72f3cd1147593415f5 [0,0,1,0,0,0|2,0,1]=4 9 B16R2.94 FCNc1ncnc(n1)N2CCOCC2 7f504105e6f9e190ce96ccfc8770f75e [0,0,1,0,0,0|2,0,1]=4 10 B16R2.94 N#CNc1cc(ncn1)N2CCNCC2 ef2cfbe8df783b26dff94b78d6a087f5 [0,0,1,0,0,0|1,0,2]=4 11 B16R2.94 O=CNc1cc(ccn1)N2CCCCC2 917053e02642ac69c45a3a4f66afe633 [0,0,1,0,0,0|3,0,0]=4 12 B16R2.94 O=CNc1cc(ccn1)N2CCOCC2 c4b15eb65c06b2ccc463aa880f250ff1 [0,0,1,0,0,0|2,0,0]=3 13 B16R2.94 O=CNc1cccc(c1)N2CCOCC2 f199cec7d6e3eff64ee718318cdfcc5d [0,0,1,0,0,0|3,0,0]=4 14 B16R2.94 O=CNc1ccnc(c1)N2CCCCC2 3ac5e531884418265ae504a4af0c33e4 [0,0,1,0,0,0|3,0,0]=4 15 B16R2.94 O=CNc1ccnc(c1)N2CCOCC2 bb9b5547506104271424684a33d9bc63 [0,0,1,0,0,0|2,0,0]=3 16 B16R2.94 OCNc1cc(ccn1)N2CCOCC2 4509c2b161f3f5614a04ec35aedad06c [0,0,1,0,0,0|2,0,1]=4 17 B16R2.94 OCNc1cc(ncn1)N2CCCCC2 e29d9fd25d21f34ad73469253f5deda6 [0,0,1,0,0,0|2,0,1]=4 18 B16R2.94 OCNc1cc(ncn1)N2CCOCC2 4189549ce7c1db0877bdecfd3477d210 [0,0,1,0,0,0|1,0,1]=3 19 B16R2.94 OCNc1ccnc(c1)N2CCOCC2 280b6bc160d9af4485acf3168e45eaf9 [0,0,1,0,0,0|2,0,1]=4 20 B16R2.94 OCNc1ncnc(n1)N2CCOCC2 e15d522f025e750ca6669ecae507a9bf [0,0,1,0,0,0|2,0,1]=4 21 B16R2.98 O=CNc1cccnc1N2CCOCC2 078dd74e2a16c36af21963e0212f0eb9 [0,0,1,0,0,0|2,0,1]=4 22 B16R2.98 O=CNc1cnccc1N2CCOCC2 64333934ffdc2eaa7e14ab2df924cb9d [0,0,1,0,0,0|2,0,1]=4 23 B16R2.4630 C#CCCN(C)c1ncnc2c1cc[nH]2 9cc9e599a28c961b92e2c5a6e3fd4c44 [0,0,1,0,0,0|2,0,1]=4 24 B16R2.4630 C#CCCN(C)c1ncnc2c1nc[nH]2 fd1e726b13c2ddc333341b600017146c [0,0,1,0,0,0|1,0,1]=3 25 B16R2.4630 C/C=C/CN(C)c1ncnc2c1cc[nH]2 36ba62b281818ad19b85905cf97ea951 [0,0,1,0,0,0|2,0,1]=4 26 B16R2.4630 C/C=C/CN(C)c1ncnc2c1nc[nH]2 532ba01a851dd8528a5802ed7a6cbd51 [0,0,1,0,0,0|1,0,1]=3 27 B16R2.4630 C/C=C\CN(C)c1ncnc2c1cc[nH]2 0d479519e2dd3af96f4464c6d49abbb3 [0,0,1,0,0,0|2,0,1]=4 28 B16R2.4630 C/C=C\CN(C)c1ncnc2c1nc[nH]2 ce078f0133c566a6e182afee92d3caa9 [0,0,1,0,0,0|1,0,1]=3 29 B16R2.4630 C=CCCN(C)c1ccnc2c1nc[nH]2 39bffae0e4469ad67cab6afbf6c96027 [0,0,1,0,0,0|2,0,1]=4 30 B16R2.4630 C=CCCN(C)c1ncnc2c1cc[nH]2 9937b708261a13f84f9b1a29bee1c486 [0,0,1,0,0,0|2,0,1]=4 31 B16R2.4630 C=CCCN(C)c1ncnc2c1nc[nH]2 7cd16f5a78aabe8bfc755e70ca67e7da [0,0,1,0,0,0|1,0,1]=3 32 B16R2.4630 C=CCCN(C)c1ncnc2c1ncs2 357ca7f464d3e04d3b491bb508edba0e [0,0,1,0,0,0|2,0,1]=4 33 B16R2.4630 CCCCN(C)c1ccnc2c1cc[nH]2 24910b20284fb054aad496ff01713f0a [0,0,1,0,0,0|3,0,0]=4 34 B16R2.4630 CCCCN(C)c1ncnc2c1CCN2 636b04a3b9e0b6e7ef46bfed1d5601a2 [0,0,1,0,0,0|2,0,1]=4 35 B16R2.4630 CCCCN(C)c1ncnc2c1cc[nH]2 facbe7c82a90aded2dd967aefb712d29 [0,0,1,0,0,0|2,0,0]=3 36 B16R2.4630 CCCCN(C)c1ncnc2c1ccs2 5a34fbfb2bc9c21c1f471a0b5c71b2d1 [0,0,1,0,0,0|3,0,0]=4 37 B16R2.4630 CCCCN(C)c1ncnc2c1nc[nH]2 15f9824c4679af2a8aaceda2d5590053 [0,0,1,0,0,0|1,0,0]=2 38 B16R2.4630 CCCCN(C)c1ncnc2c1ncs2 eaa4fae5bae600ee5eb6684e91ffa911 [0,0,1,0,0,0|2,0,0]=3 39 B16R2.4630 CCCCN(C)c1ncnc2c1scc2 6ad004d75d56a61d6a40730d1329f8b2 [0,0,1,0,0,0|3,0,0]=4 40 B16R2.4630 CCOCN(C)c1ncnc2c1cc[nH]2 21d663124e80f48f74142efad5dbcb44 [0,0,1,0,0,0|3,0,0]=4 41 B16R2.4630 CCOCN(C)c1ncnc2c1nc[nH]2 49d06026d7ec19b6e99d0f93b4c54a6f [0,0,1,0,0,0|2,0,0]=3 42 B16R2.4630 CN(C/C=C/Cl)c1ncnc2c1nc[nH]2 34c3531889da25b0967f467f05bda891 [0,0,1,0,0,0|2,0,1]=4 43 B16R2.4630 CN(C/C=C\Cl)c1ncnc2c1nc[nH]2 57ebc9d99d1b395048df340c696c69c3 [0,0,1,0,0,0|2,0,1]=4 44 B16R2.4630 CN(C/C=C\O)c1ncnc2c1nc[nH]2 5ad17eb0e1ddab40298b0e055c379598 [0,0,1,0,0,0|2,0,1]=4 45 B16R2.4630 CN(CCC#N)c1ncnc2c1cc[nH]2 aa114dbe93d694b245127fa22b923f76 [0,0,1,0,0,0|3,0,0]=4 46 B16R2.4630 CN(CCC#N)c1ncnc2c1nc[nH]2 e669b1d276dd8fb4404737ba77bb533d [0,0,1,0,0,0|2,0,0]=3 47 B16R2.4630 CN(CCC#N)c1ncnc2c1ncs2 6013dc98117659bfa1d42c3dd3aadf34 [0,0,1,0,0,0|3,0,0]=4 48 B16R2.4630 CN(CCC=O)c1ncnc2c1cc[nH]2 4b322f70854b7fbd9dfc18020b496e01 [0,0,1,0,0,0|3,0,0]=4 49 B16R2.4630 CN(CCC=O)c1ncnc2c1nc[nH]2 8e2fad57e475354405261fc20f8f6204 [0,0,1,0,0,0|2,0,0]=3 50 B16R2.4630 CN(CCCF)c1ncnc2c1cc[nH]2 f8346be3918264ed4008dee5a30ea1c5 [0,0,1,0,0,0|3,0,0]=4 51 B16R2.4630 CN(CCCF)c1ncnc2c1nc[nH]2 4244f5ca851577ab9914d4a4ae0a52e3 [0,0,1,0,0,0|2,0,0]=3 52 B16R2.4630 CN(CCCO)c1ncnc2c1cc[nH]2 2b6bde6c99948ec09c9e4c6d1d2d171f [0,0,1,0,0,0|3,0,0]=4 53 B16R2.4630 CN(CCCO)c1ncnc2c1nc[nH]2 13f73974da4f3bda2460fafa5553b9a2 [0,0,1,0,0,0|2,0,0]=3 54 B16R2.4630 CN(CCCO)c1ncnc2c1ncs2 6ff6fffc510862bb4c7eb244db222ad5 [0,0,1,0,0,0|3,0,0]=4 55 B16R2.4630 CN(CCCS)c1ncnc2c1cc[nH]2 015cab76abc3534253195bb27fed190a [0,0,1,0,0,0|3,0,0]=4 56 B16R2.4630 CN(CCCS)c1ncnc2c1nc[nH]2 3162db64bb348484e8f9189501911346 [0,0,1,0,0,0|2,0,0]=3 57 B16R2.4630 CN(CCON)c1ccnc2c1cc[nH]2 fac181cbb91383055cd9d7960a72f645 [0,0,1,0,0,0|3,0,0]=4 58 B16R2.4630 CN(CCON)c1ccnc2c1nc[nH]2 b9c5bf888ea3e9622187bff1b9d8d076 [0,0,1,0,0,0|2,0,0]=3 59 B16R2.4630 CN(CCON)c1nccc2c1cc[nH]2 8457cc08c3234354ca823781e738d4e8 [0,0,1,0,0,0|3,0,0]=4 60 B16R2.4630 CN(CCON)c1nccc2c1nco2 4a693a18919311dff38464cd96759c84 [0,0,1,0,0,0|3,0,0]=4 61 B16R2.4630 CN(CCON)c1nccc2c1ncs2 2d63da6ea587ac0ee2ffbb6bf618cc7c [0,0,1,0,0,0|3,0,0]=4 62 B16R2.4630 CN(CCON)c1ncnc2c1CCN2 c58559a3d4066d87083865d03b794bb7 [0,0,1,0,0,0|2,0,1]=4 63 B16R2.4630 CN(CCON)c1ncnc2c1[nH]cc2 1a72977760ee07afd1af4d0aede6c4f6 [0,0,1,0,0,0|2,0,1]=4 64 B16R2.4630 CN(CCON)c1ncnc2c1cc[nH]2 ffafcde5869a5bdbe79eb44660251d53 [0,0,1,0,0,0|2,0,0]=3 65 B16R2.4630 CN(CCON)c1ncnc2c1cco2 d6febf289f4425715ddd3eed9bf17f27 [0,0,1,0,0,0|3,0,0]=4 66 B16R2.4630 CN(CCON)c1ncnc2c1ccs2 4a408e233b70971830550d5698b56ee4 [0,0,1,0,0,0|3,0,0]=4 67 B16R2.4630 CN(CCON)c1ncnc2c1cn[nH]2 c262d0b436d0ea6fc8afc6e0ebd45bae [0,0,1,0,0,0|3,0,0]=4 68 B16R2.4630 CN(CCON)c1ncnc2c1nc[nH]2 5293f7800ca4f77f20e80bbdda4b732d [0,0,1,0,0,0|1,0,0]=2 69 B16R2.4630 CN(CCON)c1ncnc2c1ncs2 aa907d17bcd74c245af974996972dff6 [0,0,1,0,0,0|2,0,0]=3 70 B16R2.4630 CN(CCON)c1ncnc2c1nn[nH]2 ad7927eb5602b8673f92ecef5ff89873 [0,0,1,0,0,0|2,0,0]=3 71 B16R2.4630 CN(CCON)c1ncnc2c1occ2 fb75dab361acfe2a93c4f4649a0bece0 [0,0,1,0,0,0|3,0,0]=4 72 B16R2.4630 CN(CCON)c1ncnc2c1scc2 7a9981ab4cdcc95fe78713effc621428 [0,0,1,0,0,0|3,0,0]=4 73 B16R2.4630 CN(CCON)c1ncnc2c1scn2 e513e1184bd9ec8c9d972733eacf07bd [0,0,1,0,0,0|2,0,1]=4 74 B16R2.4630 COCCN(C)c1ccnc2c1CCN2 ac59f6ddf786662429f0ebc6e1a42e5b [0,0,1,0,0,0|2,0,1]=4 75 B16R2.4630 COCCN(C)c1ccnc2c1[nH]cc2 e522050c515a58cb1e90927f86239b16 [0,0,1,0,0,0|2,0,1]=4 76 B16R2.4630 COCCN(C)c1ccnc2c1cc[nH]2 b9b32d142538ea68b2ad7a99bf7b443f [0,0,1,0,0,0|2,0,0]=3 77 B16R2.4630 COCCN(C)c1ccnc2c1cn[nH]2 4aadd49fe6a1755f4746dadf74d0f722 [0,0,1,0,0,0|3,0,0]=4 78 B16R2.4630 COCCN(C)c1ccnc2c1nc[nH]2 5cd7dd175298b10f3755fae4ce6d2178 [0,0,1,0,0,0|1,0,0]=2 79 B16R2.4630 COCCN(C)c1ccnc2c1scc2 8e84327723e90e4eb76726f6cfaf165b [0,0,1,0,0,0|3,0,0]=4 80 B16R2.4630 COCCN(C)c1nccc2c1CCN2 cc4e4e5c2d897b91e97cb6080b27afcc [0,0,1,0,0,0|2,0,1]=4 81 B16R2.4630 COCCN(C)c1nccc2c1cc[nH]2 96665249e32aaa4b0a72398749651e20 [0,0,1,0,0,0|2,0,0]=3 82 B16R2.4630 COCCN(C)c1nccc2c1cco2 5ff3bf664ee99cc88e74a10942e89cc8 [0,0,1,0,0,0|3,0,0]=4 83 B16R2.4630 COCCN(C)c1nccc2c1ccs2 f9c8439d509b90a6d50345c810006e71 [0,0,1,0,0,0|3,0,0]=4 84 B16R2.4630 COCCN(C)c1nccc2c1nco2 1a8732b400c7e6928bd2e53123b9ed6d [0,0,1,0,0,0|2,0,0]=3 85 B16R2.4630 COCCN(C)c1nccc2c1ncs2 3e2036668feeabe54abca700c669b757 [0,0,1,0,0,0|2,0,0]=3 86 B16R2.4630 COCCN(C)c1nccc2c1scc2 984c57411ca62bf5cc2f578fe8d17d94 [0,0,1,0,0,0|3,0,0]=4 87 B16R2.4630 COCCN(C)c1nccn2c1ncc2 8cd207ad4831dc4a4018f61695a777de [0,0,1,0,0,0|3,0,0]=4 88 B16R2.4630 COCCN(C)c1ncnc2c1CCC2 2988780b70695dcad0219cf1c7eb9c8b [0,0,1,0,0,0|2,0,1]=4 89 B16R2.4630 COCCN(C)c1ncnc2c1CCN2 5e9f70fed519be19b0efaef53764856b [0,0,1,0,0,0|1,0,1]=3 90 B16R2.4630 COCCN(C)c1ncnc2c1COC2 20acfb747f9eb2a84c456fb728e2e443 [0,0,1,0,0,0|3,0,0]=4 91 B16R2.4630 COCCN(C)c1ncnc2c1CSC2 b9e02035a75a37143dea310381bfa929 [0,0,1,0,0,0|3,0,0]=4 92 B16R2.4630 COCCN(C)c1ncnc2c1cc[nH]2 b65d9daad47a7313802c676eb3af3b92 [0,0,1,0,0,0|1,0,0]=2 93 B16R2.4630 COCCN(C)c1ncnc2c1ccs2 534b63c3c3c7e3399c6f24561f4d26d0 [0,0,1,0,0,0|2,0,0]=3 94 B16R2.4630 COCCN(C)c1ncnc2c1cns2 2b71c79eb74fb82ce3351cbe150ed6a4 [0,0,1,0,0,0|3,0,0]=4 95 B16R2.4630 COCCN(C)c1ncnc2c1nc[nH]2 7e38e3619d9f9c387c9a61bd91420ed0 [0,0,1,0,0,0|0,0,0]=1 96 B16R2.4630 COCCN(C)c1ncnc2c1ncs2 5fb4e00c8bf34e14b16b4332b4ca7d1b [0,0,1,0,0,0|1,0,0]=2 97 B16R2.4630 COCCN(C)c1ncnc2c1scc2 6e641fd34e70713b49cac79838b8ccc0 [0,0,1,0,0,0|2,0,0]=3 98 B16R2.4630 CSCCN(C)c1ncnc2c1CCN2 4098080cf9ea83c879e75b4774166ce5 [0,0,1,0,0,0|1,1,1]=4 99 B16R2.4630 CSCCN(C)c1ncnc2c1cc[nH]2 806418e495173b881aa8810a212fa7e2 [0,0,1,0,0,0|1,1,0]=3 100 B16R2.4630 CSCCN(C)c1ncnc2c1ccs2 0130c3baffb97cd9e9d96448a87100c4 [0,0,1,0,0,0|2,1,0]=4 101 B16R2.4630 CSCCN(C)c1ncnc2c1nc[nH]2 1b943c6f997e8c92990f92a893f1ff03 [0,0,1,0,0,0|0,1,0]=2 102 B16R2.4630 CSCCN(C)c1ncnc2c1ncs2 6d2a4483b6048a7498c4addd8c56c7cf [0,0,1,0,0,0|1,1,0]=3 103 B16R2.4630 CSCCN(C)c1ncnc2c1scc2 d9a3da70120d54f8094837a1a1cc9147 [0,0,1,0,0,0|2,1,0]=4 104 B16R2.11632 C#CCCCNc1ncnc2c1nc[nH]2 9c32558023997d39cf422d6e925abcfa [0,0,1,0,0,0|1,0,2]=4 105 B16R2.11632 C=CCCCNc1ncnc2c1nc[nH]2 7dc8c49c5581d8ab0a17231c87e28d99 [0,0,1,0,0,0|1,0,2]=4 106 B16R2.11632 C=COCCNc1ccnc2c1nc[nH]2 90f1515b840cea3ef116f6ecff6c653e [0,0,1,0,0,0|1,0,2]=4 107 B16R2.11632 C=COCCNc1nccc2c1nc[nH]2 8d8bf1624cb9b2e55879ba0bb3bb26e9 [0,0,1,0,0,0|1,0,2]=4 108 B16R2.11632 C=COCCNc1ncnc2c1cc[nH]2 9a8e6d3915089f2bce12856204eaa097 [0,0,1,0,0,0|1,0,2]=4 109 B16R2.11632 C=COCCNc1ncnc2c1ncs2 938dd79c240730a2f7c0f09c4f435e2d [0,0,1,0,0,0|1,0,2]=4 110 B16R2.11632 C=COCCNc1ncnc2c1nn[nH]2 0361e4e0bf9de8ae7ea32dfb01b8caab [0,0,1,0,0,0|1,0,2]=4 111 B16R2.11632 CC/C=C/CNc1ccnc2c1nc[nH]2 256feeba805ab1b9a33f04e646c99ab3 [0,0,1,0,0,0|2,0,1]=4 112 B16R2.11632 CC/C=C/CNc1ncnc2c1cc[nH]2 7f3ef84d928d7d398a166c8ea85f54db [0,0,1,0,0,0|2,0,1]=4 113 B16R2.11632 CC/C=C/CNc1ncnc2c1nc[nH]2 929e05ed6f0b135a9f3ff55c676c1776 [0,0,1,0,0,0|1,0,1]=3 114 B16R2.11632 CC/C=C/CNc1ncnc2c1ncs2 0287d5d729c065ed7a475978c960952f [0,0,1,0,0,0|2,0,1]=4 115 B16R2.11632 CC/C=C/CNc1ncnc2c1nn[nH]2 c1ad48311384b10db1bbafbb8ef246dd [0,0,1,0,0,0|2,0,1]=4 116 B16R2.11632 CCCCCNc1cccc2c1nc[nH]2 ed03e50bf438d229cfa645c3e25a00cc [0,0,1,0,0,0|3,0,0]=4 117 B16R2.11632 CCCCCNc1ccnc2c1cc[nH]2 2fc47bcdb39e2261708ddfa37cd3bbe4 [0,0,1,0,0,0|3,0,0]=4 118 B16R2.11632 CCCCCNc1ccnc2c1nc[nH]2 d5b2b2e5d3bf80be9fda8a60f749bee9 [0,0,1,0,0,0|2,0,0]=3 119 B16R2.11632 CCCCCNc1nc[nH]c-2ccnc12 7606c907ca6e5cbbca15059c7e69d895 [0,0,1,0,0,0|2,0,1]=4 120 B16R2.11632 CCCCCNc1nccc2c1cc[nH]2 026e9b748b6ede294a1441a85ee5828b [0,0,1,0,0,0|3,0,0]=4 121 B16R2.11632 CCCCCNc1nccc2c1ncs2 df90e4f60f21ba8b26c7993031603723 [0,0,1,0,0,0|3,0,0]=4 122 B16R2.11632 CCCCCNc1ncnc2c1[nH]cc2 fcab5a0bb8736565a550c17b0f0f3ab0 [0,0,1,0,0,0|2,0,1]=4 123 B16R2.11632 CCCCCNc1ncnc2c1cc[nH]2 2ab5cd5c1be36bebe011c26db8439f62 [0,0,1,0,0,0|2,0,0]=3 124 B16R2.11632 CCCCCNc1ncnc2c1cco2 6329a400c9f4342382296f10d15f210d [0,0,1,0,0,0|3,0,0]=4 125 B16R2.11632 CCCCCNc1ncnc2c1ccs2 7dcb9fd732795bc76fb0f746fe792143 [0,0,1,0,0,0|3,0,0]=4 126 B16R2.11632 CCCCCNc1ncnc2c1cn[nH]2 0ed6ee537ad8df263848c453ab201988 [0,0,1,0,0,0|3,0,0]=4 127 B16R2.11632 CCCCCNc1ncnc2c1nc[nH]2 947edb2611520f8586ff3e2d2daa2710 [0,0,1,0,0,0|1,0,0]=2 128 B16R2.11632 CCCCCNc1ncnc2c1ncs2 630b2223e95ca1b708ad22321220e8bc [0,0,1,0,0,0|2,0,0]=3 129 B16R2.11632 CCCCCNc1ncnc2c1nn[nH]2 0ea6a6a35b1d396c302f67b449fdf0e1 [0,0,1,0,0,0|2,0,0]=3 130 B16R2.11632 CCCCCNc1ncnc2c1scc2 32810b6b73ccd95591671928c0c3b71f [0,0,1,0,0,0|3,0,0]=4 131 B16R2.11632 CCCCCNc1ncnc2n1ncn2 9b1221ee03f52f1b5ceb18ed9d1a7c52 [0,0,1,0,0,0|2,0,1]=4 132 B16R2.11632 CCCCCNc1ncnn2c1ncc2 7ff8a7cc4a92a12365565e98772875e9 [0,0,1,0,0,0|3,0,0]=4 133 B16R2.11632 CCCCCOc1ncnc2c1cc[nH]2 f7d692b84c072e45e5e93734a1ea4b87 [0,0,1,0,0,0|3,0,0]=4 134 B16R2.11632 CCCCCOc1ncnc2c1ncs2 70ca274ba2cd4d9ff36d9684009a6852 [0,0,1,0,0,0|3,0,0]=4 135 B16R2.11632 CCCOCCc1ncnc2c1nc[nH]2 9aaeecac4adec3870bd2c6ea1b03000e [0,0,1,0,0,0|3,0,0]=4 136 B16R2.11632 CCOCCNc1cccc2c1cc[nH]2 08bbb8032c98305fc18c93d64ec50f9f [0,0,1,0,0,0|3,0,0]=4 137 B16R2.11632 CCOCCNc1cccc2c1nc[nH]2 1c6d85dcd803c23c068856752eb506af [0,0,1,0,0,0|2,0,0]=3 138 B16R2.11632 CCOCCNc1cccc2c1nco2 95f87fd22a90a0d53fc3f698d2862e36 [0,0,1,0,0,0|3,0,0]=4 139 B16R2.11632 CCOCCNc1cccc2c1ncs2 5677246a6a8f9dba9b5746ac64996cd1 [0,0,1,0,0,0|3,0,0]=4 140 B16R2.11632 CCOCCNc1cccc2c1nn[nH]2 03300da07998c0ac619b0ed042f3523e [0,0,1,0,0,0|3,0,0]=4 141 B16R2.11632 CCOCCNc1ccnc2c1CCN2 3b847f2c4eeb3255cbce3771b9e6fcc2 [0,0,1,0,0,0|2,0,1]=4 142 B16R2.11632 CCOCCNc1ccnc2c1[nH]cc2 1d6975b003f95a0bb0d3617256e9d597 [0,0,1,0,0,0|2,0,1]=4 143 B16R2.11632 CCOCCNc1ccnc2c1cc[nH]2 759caa72cae49046f5c9d9092dca3677 [0,0,1,0,0,0|2,0,0]=3 144 B16R2.11632 CCOCCNc1ccnc2c1cco2 0675e389fdd1f18d4375a65bfd68600f [0,0,1,0,0,0|3,0,0]=4 145 B16R2.11632 CCOCCNc1ccnc2c1ccs2 f28a728712e607402683b70100e75f77 [0,0,1,0,0,0|3,0,0]=4 146 B16R2.11632 CCOCCNc1ccnc2c1cn[nH]2 08c0281c124f24169ad2732965203666 [0,0,1,0,0,0|3,0,0]=4 147 B16R2.11632 CCOCCNc1ccnc2c1nc[nH]2 afe4415c8bd64588a1546071e14abac0 [0,0,1,0,0,0|1,0,0]=2 148 B16R2.11632 CCOCCNc1ccnc2c1nn[nH]2 73f72ec5b4adc0f472597a7554cf698d [0,0,1,0,0,0|2,0,0]=3 149 B16R2.11632 CCOCCNc1ccnc2c1occ2 daeeddedc1fe9d41757f86e0d4525979 [0,0,1,0,0,0|3,0,0]=4 150 B16R2.11632 CCOCCNc1ccnc2c1ocn2 2a92d7ff0d83000aac576fbde1d66212 [0,0,1,0,0,0|2,0,1]=4 151 B16R2.11632 CCOCCNc1ccnc2c1scc2 9736b368783fd0664f6c83439adaa422 [0,0,1,0,0,0|3,0,0]=4 152 B16R2.11632 CCOCCNc1ccnc2n1ncc2 d0ea4fbc9344d9935043d6858521b5a5 [0,0,1,0,0,0|3,0,0]=4 153 B16R2.11632 CCOCCNc1ccnc2n1ncn2 601af687453e03d66b3a8ba1ff5477bc [0,0,1,0,0,0|2,0,1]=4 154 B16R2.11632 CCOCCNc1ccnn2c1ncc2 b9a7e9291b73fc7b5bf0283b890ce3c4 [0,0,1,0,0,0|3,0,0]=4 155 B16R2.11632 CCOCCNc1nc[nH]c-2ccnc12 14a09ce7d4cefd20645eb447160b53db [0,0,1,0,0,0|1,0,1]=3 156 B16R2.11632 CCOCCNc1nccc2c1CCN2 f36c977b1dc86901c3586509b6444773 [0,0,1,0,0,0|2,0,1]=4 157 B16R2.11632 CCOCCNc1nccc2c1[nH]cc2 6e862a58abf2b98fef6990761dfd360e [0,0,1,0,0,0|2,0,1]=4 158 B16R2.11632 CCOCCNc1nccc2c1[nH]cn2 2252ab9613dc211a4a42a6b249c408dd [0,0,1,0,0,0|1,0,2]=4 159 B16R2.11632 CCOCCNc1nccc2c1cc[nH]2 32f98686b8b94381c19cd4efc883335b [0,0,1,0,0,0|2,0,0]=3 160 B16R2.11632 CCOCCNc1nccc2c1cco2 268e22a91ccacc03f343111e030501b3 [0,0,1,0,0,0|3,0,0]=4 161 B16R2.11632 CCOCCNc1nccc2c1ccs2 b0bb97788ea8227098c2bbb590103562 [0,0,1,0,0,0|3,0,0]=4 162 B16R2.11632 CCOCCNc1nccc2c1cn[nH]2 c36183ccf9353fa2c1d039695c6b0b83 [0,0,1,0,0,0|3,0,0]=4 163 B16R2.11632 CCOCCNc1nccc2c1nco2 279d2ad0597a2db3e80f70e19677c380 [0,0,1,0,0,0|2,0,0]=3 164 B16R2.11632 CCOCCNc1nccc2c1ncs2 7ee5bfc65cb337bb5ba037ace040fef3 [0,0,1,0,0,0|2,0,0]=3 165 B16R2.11632 CCOCCNc1nccc2c1occ2 0b5f15b8a8d5054566b76a7f50ca1986 [0,0,1,0,0,0|3,0,0]=4 166 B16R2.11632 CCOCCNc1nccc2c1scc2 3de1a7c461ee202cc97468647cb21c3a [0,0,1,0,0,0|3,0,0]=4 167 B16R2.11632 CCOCCNc1nccc2c1scn2 2ecaad98cbb55be5ddaf9126caa7dfed [0,0,1,0,0,0|2,0,1]=4 168 B16R2.11632 CCOCCNc1nccc2n1ncc2 41eaef5f0dff0ac7d2e8be8bec58e8d8 [0,0,1,0,0,0|3,0,0]=4 169 B16R2.11632 CCOCCNc1nccn2c1ncc2 3aa02f1a0bccf33aff64f83ef17f6617 [0,0,1,0,0,0|3,0,0]=4 170 B16R2.11632 CCOCCNc1nccn2c1ncn2 9dffd77d6cf6f835cda44e06d2c66304 [0,0,1,0,0,0|2,0,1]=4 171 B16R2.11632 CCOCCNc1ncnc2c1CCC2 229ba3e28484dbe308cf2a0279aea117 [0,0,1,0,0,0|2,0,1]=4 172 B16R2.11632 CCOCCNc1ncnc2c1CCN2 bd5e8f3d128bb00ecadde09df6a0634f [0,0,1,0,0,0|1,0,1]=3 173 B16R2.11632 CCOCCNc1ncnc2c1COC2 ea69b832893721b20f3de36da3496ef0 [0,0,1,0,0,0|3,0,0]=4 174 B16R2.11632 CCOCCNc1ncnc2c1CSC2 235045d8cb9d0fb8433237409a4c90ae [0,0,1,0,0,0|3,0,0]=4 175 B16R2.11632 CCOCCNc1ncnc2c1[nH]cc2 eea9255c1b9549ad2e542dde4db7dd34 [0,0,1,0,0,0|1,0,1]=3 176 B16R2.11632 CCOCCNc1ncnc2c1[nH]nc2 d80516d92546f4dc34cca661c36d0b92 [0,0,1,0,0,0|2,0,1]=4 177 B16R2.11632 CCOCCNc1ncnc2c1cc[nH]2 b789bdb6512d3608fefdbff9dd2d82d4 [0,0,1,0,0,0|1,0,0]=2 178 B16R2.11632 CCOCCNc1ncnc2c1cco2 5c06651e6442a84c3e4aab3329daa2d9 [0,0,1,0,0,0|2,0,0]=3 179 B16R2.11632 CCOCCNc1ncnc2c1ccs2 f5b7069d762be4343bf2ae41c4156bc3 [0,0,1,0,0,0|2,0,0]=3 180 B16R2.11632 CCOCCNc1ncnc2c1cn[nH]2 9fac9a319679038618da6adaea3d3f7f [0,0,1,0,0,0|2,0,0]=3 181 B16R2.11632 CCOCCNc1ncnc2c1cns2 7e6bb8160a3de7563ee56668bfd6d7e2 [0,0,1,0,0,0|3,0,0]=4 182 B16R2.11632 CCOCCNc1ncnc2c1nc[nH]2 4752cf1961002adeebdaa0c4a88b8e77 [0,0,1,0,0,0|0,0,0]=1 183 B16R2.11632 CCOCCNc1ncnc2c1ncs2 29dfa79946ec63a66a99d83925573b68 [0,0,1,0,0,0|1,0,0]=2 184 B16R2.11632 CCOCCNc1ncnc2c1nn[nH]2 f3d3293a7837638327872ff820f468c3 [0,0,1,0,0,0|1,0,0]=2 185 B16R2.11632 CCOCCNc1ncnc2c1occ2 ff2445c4d1f8bf1310389ce7d2a77d14 [0,0,1,0,0,0|2,0,0]=3 186 B16R2.11632 CCOCCNc1ncnc2c1scc2 2441bb0f4f1ae67034388baa2947b9c0 [0,0,1,0,0,0|2,0,0]=3 187 B16R2.11632 CCOCCNc1ncnc2n1ncn2 7c876f8b94a1e01bfd2b1a820a748533 [0,0,1,0,0,0|1,0,1]=3 188 B16R2.11632 CCOCCNc1ncnn2c1ccc2 be3ae7e8912ada69c213a0ac39cf871e [0,0,1,0,0,0|3,0,0]=4 189 B16R2.11632 CCOCCNc1ncnn2c1ncc2 364b258cbd180f0fec1de4144eaf74b3 [0,0,1,0,0,0|2,0,0]=3 190 B16R2.11632 CCOCCOc1cccc2c1nc[nH]2 c2ca14d45905b58a6c4ac148b21a3a6d [0,0,1,0,0,0|3,0,0]=4 191 B16R2.11632 CCOCCOc1ccnc2c1cc[nH]2 20bebaa0fdff1a206b66f6815fb9a111 [0,0,1,0,0,0|3,0,0]=4 192 B16R2.11632 CCOCCOc1nccc2c1cc[nH]2 13019f92df868828cd12f2adc10f92ef [0,0,1,0,0,0|3,0,0]=4 193 B16R2.11632 CCOCCOc1ncnc2c1cc[nH]2 32ce2d7613bee94186c1998b998253dc [0,0,1,0,0,0|2,0,0]=3 194 B16R2.11632 CCOCCOc1ncnc2c1cn[nH]2 1140a5e996b05c21369d30324d108fc3 [0,0,1,0,0,0|3,0,0]=4 195 B16R2.11632 CCOCCOc1ncnc2c1ncs2 4516d6a747f759938a49500a1e54e1c5 [0,0,1,0,0,0|2,0,0]=3 196 B16R2.11632 CCOCCOc1ncnn2c1ncc2 32e2f96d205c0d14c8369a10f8ac07c0 [0,0,1,0,0,0|3,0,0]=4 197 B16R2.11632 CCOCNCc1ccnc2c1nc[nH]2 b3799728b3ff873daa92654c6db62a58 [0,0,1,0,0,0|3,0,0]=4 198 B16R2.11632 CCOCNCc1nccc2c1nc[nH]2 5b309c2df1354428ab79774576e718ed [0,0,1,0,0,0|3,0,0]=4 199 B16R2.11632 CCOCOCc1ncnc2c1cc[nH]2 78a260942824d8dac1c4fa02ea967656 [0,0,1,0,0,0|3,0,0]=4 200 B16R2.11632 CCSCCNc1cccc2c1nc[nH]2 811b2952ef429196dacab8a403f5d73b [0,0,1,0,0,0|2,1,0]=4 201 B16R2.11632 CCSCCNc1ccnc2c1cc[nH]2 99526af41755b42650bb3e3e029bd250 [0,0,1,0,0,0|2,1,0]=4 202 B16R2.11632 CCSCCNc1ccnc2c1nc[nH]2 c5e367dcef9618114acd4362a5faab61 [0,0,1,0,0,0|1,1,0]=3 203 B16R2.11632 CCSCCNc1nc[nH]c-2ccnc12 efde1a4077be2325d6e8ae8615ee009b [0,0,1,0,0,0|1,1,1]=4 204 B16R2.11632 CCSCCNc1nccc2c1cc[nH]2 9a8b1d28e07776f20be609788954f7b6 [0,0,1,0,0,0|2,1,0]=4 205 B16R2.11632 CCSCCNc1nccc2c1ncs2 b4e38eed00eb1c57b9c72bf266ffcdf4 [0,0,1,0,0,0|2,1,0]=4 206 B16R2.11632 CCSCCNc1ncnc2c1[nH]cc2 8800fb42082618caec30b2b7883891d7 [0,0,1,0,0,0|1,1,1]=4 207 B16R2.11632 CCSCCNc1ncnc2c1cc[nH]2 25446a6503fd0a7dff901311d941c17c [0,0,1,0,0,0|1,1,0]=3 208 B16R2.11632 CCSCCNc1ncnc2c1cco2 08eb606a7a250d030cadcef038c15137 [0,0,1,0,0,0|2,1,0]=4 209 B16R2.11632 CCSCCNc1ncnc2c1ccs2 f3b12710a9fb4218fadc179f0152df44 [0,0,1,0,0,0|2,1,0]=4 210 B16R2.11632 CCSCCNc1ncnc2c1cn[nH]2 1fa205b8c3890e65fbf606cc9260b5d1 [0,0,1,0,0,0|2,1,0]=4 211 B16R2.11632 CCSCCNc1ncnc2c1nc[nH]2 65595f6ebb09e392f10af84657f28e63 [0,0,1,0,0,0|0,1,0]=2 212 B16R2.11632 CCSCCNc1ncnc2c1ncs2 a1f3cb30fb295289f06d46cac81e9329 [0,0,1,0,0,0|1,1,0]=3 213 B16R2.11632 CCSCCNc1ncnc2c1nn[nH]2 7dc1adf785c0bc307a4034d6c77ec11a [0,0,1,0,0,0|1,1,0]=3 214 B16R2.11632 CCSCCNc1ncnc2c1scc2 d667aca6048468ed1233c6dea339ad9e [0,0,1,0,0,0|2,1,0]=4 215 B16R2.11632 CCSCCNc1ncnc2n1ncn2 ca8a2478386320999a9ab61e9d27840c [0,0,1,0,0,0|1,1,1]=4 216 B16R2.11632 CCSCCNc1ncnn2c1ncc2 dffce63c84e942409b677e3cb79823b8 [0,0,1,0,0,0|2,1,0]=4 217 B16R2.11632 CCSCCOc1ncnc2c1cc[nH]2 815b2f2a8859a292038ac24c0747f684 [0,0,1,0,0,0|2,1,0]=4 218 B16R2.11632 CCSCCOc1ncnc2c1ncs2 eaf0cbf5add45aa924ae2c2262878ebe [0,0,1,0,0,0|2,1,0]=4 219 B16R2.11632 COCCCNc1ccnc2c1nc[nH]2 af999bfa9d477146d59d14a305896087 [0,0,1,0,0,0|3,0,0]=4 220 B16R2.11632 COCCCNc1ncnc2c1cc[nH]2 54a45349892c317f80cea182980bb86f [0,0,1,0,0,0|3,0,0]=4 221 B16R2.11632 COCCCNc1ncnc2c1nc[nH]2 552bfc38586de8e0bfe2047d4fc8b8c1 [0,0,1,0,0,0|2,0,0]=3 222 B16R2.11632 COCCCNc1ncnc2c1ncs2 d9581510ee53db1417f488ba87f896e7 [0,0,1,0,0,0|3,0,0]=4 223 B16R2.11632 COCCCNc1ncnc2c1nn[nH]2 e6c90ed62b724342ef4e3574831ed4d0 [0,0,1,0,0,0|3,0,0]=4 224 B16R2.11632 CSCCCNc1ccnc2c1nc[nH]2 5a98a49905fc9d97730527c578417486 [0,0,1,0,0,0|3,0,0]=4 225 B16R2.11632 CSCCCNc1ncnc2c1cc[nH]2 a51307cbf9c2557169cfb6245ed964d0 [0,0,1,0,0,0|3,0,0]=4 226 B16R2.11632 CSCCCNc1ncnc2c1nc[nH]2 4e7ee8f8ebbc9a88d8ee276d6421a6a8 [0,0,1,0,0,0|2,0,0]=3 227 B16R2.11632 CSCCCNc1ncnc2c1ncs2 9438465e9f3e2d43bec13c91d8935090 [0,0,1,0,0,0|3,0,0]=4 228 B16R2.11632 CSCCCNc1ncnc2c1nn[nH]2 3926921c464510cafd0d219a4077f976 [0,0,1,0,0,0|3,0,0]=4 229 B16R2.11632 ClCCCCNc1ccnc2c1nc[nH]2 a3d8ffe1f40f36f6d73a5fc422fde1f5 [0,0,1,0,0,0|3,0,0]=4 230 B16R2.11632 ClCCCCNc1ncnc2c1cc[nH]2 6e35c38c9f08ac5c6f751ddf9b1ddf03 [0,0,1,0,0,0|3,0,0]=4 231 B16R2.11632 FCCCCNc1ccnc2c1nc[nH]2 d72d9af68c42389b98be91f88473874e [0,0,1,0,0,0|3,0,0]=4 232 B16R2.11632 FCCCCNc1ncnc2c1cc[nH]2 48facde7c7e2a22bc7671f9f761381a2 [0,0,1,0,0,0|3,0,0]=4 233 B16R2.11632 FCCCCNc1ncnc2c1nc[nH]2 21e800d146dbc6b24759a8aba3d742d0 [0,0,1,0,0,0|2,0,0]=3 234 B16R2.11632 FCCCCNc1ncnc2c1ncs2 035c580e8abc83eec770540a1f1bdf58 [0,0,1,0,0,0|3,0,0]=4 235 B16R2.11632 FCCCCNc1ncnc2c1nn[nH]2 4a15bea8281347df9a802c2782f1c572 [0,0,1,0,0,0|3,0,0]=4 236 B16R2.11632 N#CCCCNc1ncnc2c1nc[nH]2 9b747958eb335a9fdbb3b9a2913610f9 [0,0,1,0,0,0|2,0,1]=4 237 B16R2.11632 O=CCCCNc1ncnc2c1nc[nH]2 048ba41597c152f8c981cc7119ad631a [0,0,1,0,0,0|2,0,1]=4 238 B16R2.11632 OCCCCNc1ccnc2c1nc[nH]2 0af68e8af086273bd424e031dabbbb9f [0,0,1,0,0,0|3,0,0]=4 239 B16R2.11632 OCCCCNc1ncnc2c1cc[nH]2 d20dcf4fd3ffbeb7865be6693085c0b5 [0,0,1,0,0,0|3,0,0]=4 240 B16R2.11632 OCCCCNc1ncnc2c1nc[nH]2 0fd849c9dad2b8a921b023673ba84b82 [0,0,1,0,0,0|2,0,0]=3 241 B16R2.11632 OCCCCNc1ncnc2c1ncs2 0ce1f6239d6d63f94bf08795a70d3e04 [0,0,1,0,0,0|3,0,0]=4 242 B16R2.11632 OCCCCNc1ncnc2c1nn[nH]2 1eda72d4f1a850224ffce1bdbd62650d [0,0,1,0,0,0|3,0,0]=4 243 B16R2.11632 SCCCCNc1ccnc2c1nc[nH]2 8aa17cc3facb04f0eb5b9fc9af88d060 [0,0,1,0,0,0|3,0,0]=4 244 B16R2.13092 C#CCN(CC)c1ncnc2c1nc[nH]2 71ea701b07518f8633dbc89f3fef3ed3 [0,0,1,0,0,0|1,0,1]=3 245 B16R2.13092 C=CCN(CC)c1ncnc2c1nc[nH]2 91a25670a712b0a9c101281b6b57d97a [0,0,1,0,0,0|1,0,1]=3 246 B16R2.13092 CCCN(CC)c1ncnc2c1CCN2 db9145df52af3cc73f638a3f4969c923 [0,0,1,0,0,0|2,0,1]=4 247 B16R2.13092 CCCN(CC)c1ncnc2c1ccs2 8e19eafcd9d1f1700aa05096edc372b0 [0,0,1,0,0,0|3,0,0]=4 248 B16R2.13092 CCCN(CC)c1ncnc2c1nc[nH]2 9d351a4619cc0eca66d8d44b84e7aa70 [0,0,1,0,0,0|1,0,0]=2 249 B16R2.13092 CCN(CC#N)c1ncnc2c1nc[nH]2 6fd0046eb358ad016a9f51b53dec168d [0,0,1,0,0,0|1,0,1]=3 250 B16R2.13092 CCN(CC#N)c1ncnc2c1ncs2 5e46cfc01acd0ab94d07ff959bfeafd3 [0,0,1,0,0,0|2,0,1]=4 251 B16R2.13092 CCN(CC=O)c1ncnc2c1nc[nH]2 a9caa81ca299d4188ac15d05c0c53141 [0,0,1,0,0,0|0,0,2]=3 252 B16R2.13092 CCN(CCCl)c1ncnc2c1CCN2 5c3b67bf973b879f7523c0e82707a515 [0,0,1,0,0,0|2,0,1]=4 253 B16R2.13092 CCN(CCCl)c1ncnc2c1ccs2 7e992b596b44524c4d7f1f2616b57647 [0,0,1,0,0,0|3,0,0]=4 254 B16R2.13092 CCN(CCF)c1ncnc2c1nc[nH]2 848a0f672b62dd894db0ed4b3f29500f [0,0,1,0,0,0|1,0,0]=2 255 B16R2.13092 CCN(CCO)c1ccnc2c1CCN2 fdde59eebf688a928eb0eb405f81028c [0,0,1,0,0,0|2,0,1]=4 256 B16R2.13092 CCN(CCO)c1nccc2c1CCN2 3c9c817282243c0e2c91c62573118b85 [0,0,1,0,0,0|2,0,1]=4 257 B16R2.13092 CCN(CCO)c1nccc2c1[nH]cc2 19d7a5ad399a95c82bd9cbfae0df0041 [0,0,1,0,0,0|2,0,1]=4 258 B16R2.13092 CCN(CCO)c1nccc2c1cco2 61e37e99c7206fd5177395d04272a28e [0,0,1,0,0,0|3,0,0]=4 259 B16R2.13092 CCN(CCO)c1nccc2c1ccs2 a4ce0292973adb2f653c4b928f054c6f [0,0,1,0,0,0|3,0,0]=4 260 B16R2.13092 CCN(CCO)c1ncnc2c1CCC2 b1650c9ca100851567f3218262ae5f70 [0,0,1,0,0,0|2,0,1]=4 261 B16R2.13092 CCN(CCO)c1ncnc2c1CCN2 50bcffbbf7130773034a8c2fd8952837 [0,0,1,0,0,0|1,0,1]=3 262 B16R2.13092 CCN(CCO)c1ncnc2c1COC2 997fb0f7da8035fb83e2498f5fe14b36 [0,0,1,0,0,0|3,0,0]=4 263 B16R2.13092 CCN(CCO)c1ncnc2c1CSC2 9f20a5328035cfc52bb606100eac3d0d [0,0,1,0,0,0|3,0,0]=4 264 B16R2.13092 CCN(CCO)c1ncnc2c1[nH]cc2 61107289e719270d7d01c8625dad72b8 [0,0,1,0,0,0|1,0,1]=3 265 B16R2.13092 CCN(CCO)c1ncnc2c1cc[nH]2 b8a9186f81df1e6f8fcac9ac7d479186 [0,0,1,0,0,0|1,0,0]=2 266 B16R2.13092 CCN(CCO)c1ncnc2c1ccs2 b1489de98e4148a33710e0e50a577259 [0,0,1,0,0,0|2,0,0]=3 267 B16R2.13092 CCN(CCO)c1ncnc2c1cns2 365839a7f762ab7a73809a9a4e145354 [0,0,1,0,0,0|3,0,0]=4 268 B16R2.13092 CCN(CCO)c1ncnc2c1nc[nH]2 c3538ca9c5795254474fd58ca5a92a91 [0,0,1,0,0,0|0,0,0]=1 269 B16R2.13092 CCN(CCO)c1ncnc2c1ncs2 57b9c2cd76581f58a93217f21753043a [0,0,1,0,0,0|1,0,0]=2 270 B16R2.13092 CCN(CCO)c1ncnc2c1scc2 ad23d0a072b9e57d208bef871f0f3009 [0,0,1,0,0,0|2,0,0]=3 271 B16R2.13092 CCN(CCS)c1ncnc2c1nc[nH]2 277f97313c7809647792fc8dcb53898d [0,0,1,0,0,0|0,1,0]=2 272 B16R2.13092 CCN(COC)c1ncnc2c1nc[nH]2 e7c7faa4d26f9ce23c0d571b4263f720 [0,0,1,0,0,0|2,0,0]=3 273 B16R2.13092 CCN(CSC)c1ncnc2c1nc[nH]2 a8cf3b29dfb79644eed13c1f55d8e02d [0,0,1,0,0,0|2,0,0]=3 274 B16R2.13092 OCCN(CO)c1ccnc2c1cc[nH]2 fd990445d29a2077b460c3ae2656b5d4 [0,0,1,0,0,0|3,0,0]=4 275 B16R2.13092 OCCN(CO)c1nccc2c1nco2 455a1d5b13813e7997d3643ca7a0d481 [0,0,1,0,0,0|3,0,0]=4 276 B16R2.13092 OCCN(CO)c1ncnc2c1CCN2 1aa94c025fa9341fa2c96b6d3727e3f7 [0,0,1,0,0,0|2,0,1]=4 277 B16R2.13092 OCCN(CO)c1ncnc2c1cc[nH]2 3d066f85060ebb433e2907127f164929 [0,0,1,0,0,0|2,0,0]=3 278 B16R2.13092 OCCN(CO)c1ncnc2c1ccs2 baa347f661292d3c8bd1f314668de57a [0,0,1,0,0,0|3,0,0]=4 279 B16R2.13092 OCCN(CO)c1ncnc2c1ncs2 8b61aa2cc2c1f2c88178be1e96c40cd6 [0,0,1,0,0,0|2,0,0]=3 280 B16R2.13092 OCCN(CO)c1ncnc2c1scc2 5f8f6f95b19303a57088407b4e1f5fac [0,0,1,0,0,0|3,0,0]=4 281 B18R3.2115 c1cc(c2nc[nH]c2c1)NC3CCOCC3 c533599205eefcd92645130fbf1b3fa0 [0,0,0,0,0,1|3,0,0]=4 282 B18R3.2115 c1cc(c2ncoc2c1)CN3CCOCC3 cef525730e5f0f410519cfbe395b94c1 [0,0,0,0,0,1|3,0,0]=4 283 B18R3.2115 c1cc(c2ncsc2c1)CN3CCOCC3 8a4ea8a2a69fab1382ebfa522a17f774 [0,0,0,0,0,1|3,0,0]=4 284 B18R3.2115 c1cc2[nH]ccc2c(n1)NC3CCOCC3 ade4931472bcb55443866b52dd55ae4f [0,0,0,0,0,1|3,0,0]=4 285 B18R3.2115 c1cc2scnc2c(n1)NC3CCOCC3 94a4c1640a85ea1026697494b9a39739 [0,0,0,0,0,1|3,0,0]=4 286 B18R3.2115 c1cn2ncnc(c2n1)NC3CCOCC3 b700e2141b482122e10549e6ea30b788 [0,0,0,0,0,1|3,0,0]=4 287 B18R3.2115 c1cn2ncnc(c2n1)OC3CCOCC3 eee13d623296e46e7cbeec134c5b3d2c [0,0,0,0,0,1|3,0,0]=4 288 B18R3.2115 c1nc(c2cc[nH]c2n1)NC3CCCCC3 451b6fba04ac087b7718e33cf19deec3 [0,0,0,0,0,1|3,0,0]=4 289 B18R3.2115 c1nc(c2cc[nH]c2n1)OC3CCCCC3 f14b6dfab2a4b11495915631cf99ae6a [0,0,0,0,0,1|3,0,0]=4 290 B18R3.2115 c1nc(c2ccsc2n1)NC3CCOCC3 aff7dfb60914583dfa61d8a7671b357c [0,0,0,0,0,1|3,0,0]=4 291 B18R3.2115 c1nc(c2nn[nH]c2n1)NC3CCCCC3 90355d73548bf3dd2d24bec7e43f5aec [0,0,0,0,0,1|3,0,0]=4 292 B15R2.4278 C#CCCNc1ncnc2c1nc[nH]2 e5a6af8ece99607bc3450e325bca1aa2 [1,0,1,0,0,0|0,0,2]=4 293 B15R2.4278 C/C=C/CNc1ncnc2c1nc[nH]2 adef968d0999324cd5b33a72be046a06 [1,0,1,0,0,0|0,0,2]=4 294 B15R2.4278 C/C=C\CNc1ncnc2c1nc[nH]2 cce9d9acf02e1b9aac268888f4a87b42 [1,0,1,0,0,0|0,0,2]=4 295 B15R2.4278 C=CCCNc1ncnc2c1nc[nH]2 7540c0ffed55675d78b6d217c88878e0 [1,0,1,0,0,0|0,0,2]=4 296 B15R2.4278 CCCCNc1cccc2c1nc[nH]2 2005c3ec6f8e1a15f0199cafcdd8dab9 [1,0,1,0,0,0|2,0,0]=4 297 B15R2.4278 CCCCNc1ccnc2c1cc[nH]2 93c4d2ccef4e0898e788769a5bc1bba2 [1,0,1,0,0,0|2,0,0]=4 298 B15R2.4278 CCCCNc1ccnc2c1nc[nH]2 dbf4e7bab6300bd2522b29f422743e95 [1,0,1,0,0,0|1,0,0]=3 299 B15R2.4278 CCCCNc1nc[nH]c-2ccnc12 7faf44151119af679b73bb5ea65ab47a [1,0,1,0,0,0|1,0,1]=4 300 B15R2.4278 CCCCNc1nccc2c1cc[nH]2 7ce3828587a37c0051a606c97433b4f6 [1,0,1,0,0,0|2,0,0]=4 301 B15R2.4278 CCCCNc1nccc2c1ncs2 6e38798d5e4ee5515ae5abf3845d336b [1,0,1,0,0,0|2,0,0]=4 302 B15R2.4278 CCCCNc1ncnc2c1CCN2 6f343bc51ae4facd04ebcdbe76417eba [1,0,1,0,0,0|1,0,1]=4 303 B15R2.4278 CCCCNc1ncnc2c1[nH]cc2 13cf4f631daca24020cc23d9f4fd3e6e [1,0,1,0,0,0|1,0,1]=4 304 B15R2.4278 CCCCNc1ncnc2c1cc[nH]2 e13901a97ac5da0e0bb29fa0381fa799 [1,0,1,0,0,0|1,0,0]=3 305 B15R2.4278 CCCCNc1ncnc2c1cco2 b74f222c7c436688f7902f6932d1ac20 [1,0,1,0,0,0|2,0,0]=4 306 B15R2.4278 CCCCNc1ncnc2c1ccs2 bb6093f32c23999b4ac3765241dc8900 [1,0,1,0,0,0|2,0,0]=4 307 B15R2.4278 CCCCNc1ncnc2c1cn[nH]2 46783cdb919210a41e1d98da48ff0c86 [1,0,1,0,0,0|2,0,0]=4 308 B15R2.4278 CCCCNc1ncnc2c1nc[nH]2 4faebf42b086f6fb737c01157032767b [1,0,1,0,0,0|0,0,0]=2 309 B15R2.4278 CCCCNc1ncnc2c1ncs2 2a0df5cc253f762d312ee6ee9cba28fe [1,0,1,0,0,0|1,0,0]=3 310 B15R2.4278 CCCCNc1ncnc2c1nn[nH]2 8df536442a9ddde6f4272eea8bb21764 [1,0,1,0,0,0|1,0,0]=3 311 B15R2.4278 CCCCNc1ncnc2c1scc2 5f1c8b887732766d2accfb1e5ecb0f1c [1,0,1,0,0,0|2,0,0]=4 312 B15R2.4278 CCCCNc1ncnc2n1ncn2 c2ea08d71ff034c046e387281be2285a [1,0,1,0,0,0|1,0,1]=4 313 B15R2.4278 CCCCNc1ncnn2c1ncc2 e336286dea43537239b4b5382d8540f4 [1,0,1,0,0,0|2,0,0]=4 314 B15R2.4278 CCCCOc1ncnc2c1cc[nH]2 69c26f5f229473e995080f127814da4e [1,0,1,0,0,0|2,0,0]=4 315 B15R2.4278 CCCCOc1ncnc2c1ncs2 80d8e998ceb911d12b0fed66ed3e270b [1,0,1,0,0,0|2,0,0]=4 316 B15R2.4278 CCOCCc1ncnc2c1nc[nH]2 93b40442a9f6e1fee16cb7cefb7cfdb6 [1,0,1,0,0,0|0,0,0]=2 317 B15R2.4278 CCOCNc1cccc2c1nc[nH]2 088f0022129427e87e4e40a90afdcabc [1,0,1,0,0,0|2,0,0]=4 318 B15R2.4278 CCOCNc1ccnc2c1cc[nH]2 238084adf4ebb72abab438172d71c662 [1,0,1,0,0,0|2,0,0]=4 319 B15R2.4278 CCOCNc1ccnc2c1nc[nH]2 89507f6234342213ef2c413cc22e1f61 [1,0,1,0,0,0|1,0,0]=3 320 B15R2.4278 CCOCNc1nc[nH]c-2ccnc12 317d07285fe22b8474da46d1448b8450 [1,0,1,0,0,0|1,0,1]=4 321 B15R2.4278 CCOCNc1nccc2c1cc[nH]2 c099d1e7b6880a901080c2bcc95ffc23 [1,0,1,0,0,0|2,0,0]=4 322 B15R2.4278 CCOCNc1nccc2c1ncs2 958f0a4038da325025b5ce881027059f [1,0,1,0,0,0|2,0,0]=4 323 B15R2.4278 CCOCNc1ncnc2c1[nH]cc2 20d7772fec3efc4784be6766c877f67c [1,0,1,0,0,0|1,0,1]=4 324 B15R2.4278 CCOCNc1ncnc2c1cc[nH]2 cb5d75dc99c20ab9b0bc676cf7040274 [1,0,1,0,0,0|1,0,0]=3 325 B15R2.4278 CCOCNc1ncnc2c1cco2 76765d7bb48fad52ef55f28f750e42bf [1,0,1,0,0,0|2,0,0]=4 326 B15R2.4278 CCOCNc1ncnc2c1ccs2 6f2bc54f38fcfd81cf8f3b2efeae6935 [1,0,1,0,0,0|2,0,0]=4 327 B15R2.4278 CCOCNc1ncnc2c1cn[nH]2 5fdc537ce883cf49caa1ef455139f080 [1,0,1,0,0,0|2,0,0]=4 328 B15R2.4278 CCOCNc1ncnc2c1nc[nH]2 02b64d5ae389fee7c87e3c4a34dbd3c6 [1,0,1,0,0,0|0,0,0]=2 329 B15R2.4278 CCOCNc1ncnc2c1ncs2 ba14be29687f0be3384a9f711d052044 [1,0,1,0,0,0|1,0,0]=3 330 B15R2.4278 CCOCNc1ncnc2c1nn[nH]2 636324881654bdd8afe254e58cb57be2 [1,0,1,0,0,0|1,0,0]=3 331 B15R2.4278 CCOCNc1ncnc2c1scc2 71b2ca07fb125e2796351e8af8dde548 [1,0,1,0,0,0|2,0,0]=4 332 B15R2.4278 CCOCNc1ncnc2n1ncn2 4100d3143542d629dd61c9ae46a0e892 [1,0,1,0,0,0|1,0,1]=4 333 B15R2.4278 CCOCNc1ncnn2c1ncc2 41d459f2eb1c124124e5ee77d4eb5887 [1,0,1,0,0,0|2,0,0]=4 334 B15R2.4278 CCOCOc1ncnc2c1cc[nH]2 dee08669d55a0c2628a32ddff3a2a719 [1,0,1,0,0,0|2,0,0]=4 335 B15R2.4278 CCOCOc1ncnc2c1ncs2 c9d1c9cc98cb220d9d77f16a329f885b [1,0,1,0,0,0|2,0,0]=4 336 B15R2.4278 COCCNc1cccc2c1nc[nH]2 2eed490f6c216f674c57410cccbda813 [1,0,1,0,0,0|2,0,0]=4 337 B15R2.4278 COCCNc1ccnc2c1cc[nH]2 b5d4fa0b58a94561cb999c7c15a4d7d2 [1,0,1,0,0,0|2,0,0]=4 338 B15R2.4278 COCCNc1ccnc2c1nc[nH]2 14525fb72db494246f1a297f8061dad9 [1,0,1,0,0,0|1,0,0]=3 339 B15R2.4278 COCCNc1ccnc2c1nn[nH]2 d1afacc0712c6e84e3b68aa5e70f5858 [1,0,1,0,0,0|2,0,0]=4 340 B15R2.4278 COCCNc1nc[nH]c-2ccnc12 6d6b81a6cad76f95fd874e2190c4b948 [1,0,1,0,0,0|1,0,1]=4 341 B15R2.4278 COCCNc1nccc2c1cc[nH]2 ad60fc7a38df9630b10dfe0a082c83cf [1,0,1,0,0,0|2,0,0]=4 342 B15R2.4278 COCCNc1nccc2c1nco2 84684a704aa5779594739c0f36699d74 [1,0,1,0,0,0|2,0,0]=4 343 B15R2.4278 COCCNc1nccc2c1ncs2 63b825326394949fa167e72e6577f38a [1,0,1,0,0,0|2,0,0]=4 344 B15R2.4278 COCCNc1ncnc2c1CCN2 3293c698549ef95ab25d9256c4763a3f [1,0,1,0,0,0|1,0,1]=4 345 B15R2.4278 COCCNc1ncnc2c1[nH]cc2 e77a6eb0a383de0a6c9273a74ffff407 [1,0,1,0,0,0|1,0,1]=4 346 B15R2.4278 COCCNc1ncnc2c1cc[nH]2 a4249f6e4ce918304fda5670977dc96c [1,0,1,0,0,0|1,0,0]=3 347 B15R2.4278 COCCNc1ncnc2c1cco2 8d5e466b085dc9d039fb5f1980e6b0e9 [1,0,1,0,0,0|2,0,0]=4 348 B15R2.4278 COCCNc1ncnc2c1ccs2 652311b6d18c2cf8cc40db45d8cec3f2 [1,0,1,0,0,0|2,0,0]=4 349 B15R2.4278 COCCNc1ncnc2c1cn[nH]2 6ea00ca3d4a40f5ea10f01757663f014 [1,0,1,0,0,0|2,0,0]=4 350 B15R2.4278 COCCNc1ncnc2c1nc[nH]2 d1ee685658533b2dff2f78a4979244d0 [1,0,1,0,0,0|0,0,0]=2 351 B15R2.4278 COCCNc1ncnc2c1ncs2 f3e43b7b0d96a9eee4794ac929458e4a [1,0,1,0,0,0|1,0,0]=3 352 B15R2.4278 COCCNc1ncnc2c1nn[nH]2 e30bed2bfa325e647a644a7df90fd519 [1,0,1,0,0,0|1,0,0]=3 353 B15R2.4278 COCCNc1ncnc2c1scc2 4c5c2df49ade5aaaf139599939431f70 [1,0,1,0,0,0|2,0,0]=4 354 B15R2.4278 COCCNc1ncnc2n1ncn2 6c614a77c852745def351a1ddb2579f2 [1,0,1,0,0,0|1,0,1]=4 355 B15R2.4278 COCCNc1ncnn2c1ncc2 097d80d1279330a9bece3f84e3432d32 [1,0,1,0,0,0|2,0,0]=4 356 B15R2.4278 COCCOc1ncnc2c1cc[nH]2 379cd41598aa2bde1bf6d3e206e944cd [1,0,1,0,0,0|2,0,0]=4 357 B15R2.4278 COCCOc1ncnc2c1ncs2 1b37fbce271dcad30d119d24ff5dffed [1,0,1,0,0,0|2,0,0]=4 358 B15R2.4278 CSCCNc1ccnc2c1nc[nH]2 5efed426ae5d1d4bcb62c88d2d94cacb [1,0,1,0,0,0|1,1,0]=4 359 B15R2.4278 CSCCNc1ncnc2c1cc[nH]2 45546de91f9d6b75417f800cea7051e9 [1,0,1,0,0,0|1,1,0]=4 360 B15R2.4278 CSCCNc1ncnc2c1nc[nH]2 94a6e87a6530c3c0b408e1d1fd1ddc42 [1,0,1,0,0,0|0,1,0]=3 361 B15R2.4278 CSCCNc1ncnc2c1ncs2 69f85e731bd9db8b5547da0ae5b893e7 [1,0,1,0,0,0|1,1,0]=4 362 B15R2.4278 CSCCNc1ncnc2c1nn[nH]2 e41e1408e4f73433ade8d3c72cb07a10 [1,0,1,0,0,0|1,1,0]=4 363 B15R2.4278 ClCCCNc1ccnc2c1nc[nH]2 8de4bf44aaf6cc001d4b6244efa137aa [1,0,1,0,0,0|2,0,0]=4 364 B15R2.4278 ClCCCNc1ncnc2c1cc[nH]2 71a9bf066d5698b6f86d0578a8983b21 [1,0,1,0,0,0|2,0,0]=4 365 B15R2.4278 FCCCNc1ccnc2c1nc[nH]2 303abd2db152fbf74e476dbb6771480a [1,0,1,0,0,0|2,0,0]=4 366 B15R2.4278 FCCCNc1ncnc2c1cc[nH]2 172b114e6074c110a9fb0c432e5de421 [1,0,1,0,0,0|2,0,0]=4 367 B15R2.4278 FCCCNc1ncnc2c1nc[nH]2 ee62ad609b0c34dfd5533e52e71ee890 [1,0,1,0,0,0|1,0,0]=3 368 B15R2.4278 FCCCNc1ncnc2c1ncs2 f5b1b25c98c36b7d6548762eaabd5931 [1,0,1,0,0,0|2,0,0]=4 369 B15R2.4278 FCCCNc1ncnc2c1nn[nH]2 628a83432243e0e8e1bd747f06052248 [1,0,1,0,0,0|2,0,0]=4 370 B15R2.4278 FCOCCc1ncnc2c1nc[nH]2 d2e19127f805dc1bb8d89b47a6f813ea [1,0,1,0,0,0|1,0,0]=3 371 B15R2.4278 N#CCCNc1ncnc2c1nc[nH]2 8c6ba0795c34113bbe237f66e5770dfe [1,0,1,0,0,0|1,0,1]=4 372 B15R2.4278 NOCCNc1ccnc2c1nc[nH]2 cfa5978400f9869452e31d1bcf61c4d4 [1,0,1,0,0,0|2,0,0]=4 373 B15R2.4278 NOCCNc1nccc2c1nc[nH]2 f6ac0dd2213d9d7aa822a9c24ed2dc4a [1,0,1,0,0,0|2,0,0]=4 374 B15R2.4278 NOCCNc1ncnc2c1cc[nH]2 176017de81294a1506806ad94f16576f [1,0,1,0,0,0|2,0,0]=4 375 B15R2.4278 NOCCNc1ncnc2c1nc[nH]2 f601f87fa7c3f8ddaa2c98bc7940031f [1,0,1,0,0,0|1,0,0]=3 376 B15R2.4278 NOCCNc1ncnc2c1ncs2 d78d10217b3f45e59f9f6c44324a75e9 [1,0,1,0,0,0|2,0,0]=4 377 B15R2.4278 NOCCNc1ncnc2c1nn[nH]2 1e512babea1d85d1f9bff1341e8c2ad5 [1,0,1,0,0,0|2,0,0]=4 378 B15R2.4278 O=CCCNc1ncnc2c1nc[nH]2 49e824557f63ee5b37b2e1ce8b5cbf7a [1,0,1,0,0,0|1,0,1]=4 379 B15R2.4278 OCCCNc1ccnc2c1nc[nH]2 eb745ec57d6707334c4e3c2cf73faee3 [1,0,1,0,0,0|2,0,0]=4 380 B15R2.4278 OCCCNc1ncnc2c1cc[nH]2 51353ec3e9356020aa8892ce0fa04116 [1,0,1,0,0,0|2,0,0]=4 381 B15R2.4278 OCCCNc1ncnc2c1nc[nH]2 e44682919274c515eda5a79530820906 [1,0,1,0,0,0|1,0,0]=3 382 B15R2.4278 OCCCNc1ncnc2c1ncs2 a5325279bf7a81281cb3d4f9ebf54c9f [1,0,1,0,0,0|2,0,0]=4 383 B15R2.4278 OCCCNc1ncnc2c1nn[nH]2 eef3de9a43a6238801600180a1f0b1f8 [1,0,1,0,0,0|2,0,0]=4 384 B15R2.4278 SCCCNc1ccnc2c1nc[nH]2 2882ae38d63ddc9dd9bb7031fcf8d11b [1,0,1,0,0,0|2,0,0]=4 385 B15R2.4278 SCCCNc1ncnc2c1cc[nH]2 00a0b67b2a2ca720c3dd68da01c02e83 [1,0,1,0,0,0|2,0,0]=4 386 B15R2.4278 SCCCNc1ncnc2c1nc[nH]2 368c561451fecb195c40dbd8e67aa7c3 [1,0,1,0,0,0|1,0,0]=3 387 B15R2.4278 SCCCNc1ncnc2c1ncs2 57a5cce3a712ff706b84205baf8136dc [1,0,1,0,0,0|2,0,0]=4 388 B15R2.4278 SCCCNc1ncnc2c1nn[nH]2 0502a0f8786942ffe9b34339e0998656 [1,0,1,0,0,0|2,0,0]=4 389 B15R2.17340 C#CCN(C)c1ncnc2c1nc[nH]2 8f8778ad67d556e1414ea1d5de815643 [1,0,1,0,0,0|0,0,2]=4 390 B15R2.17340 C=CCN(C)c1ncnc2c1nc[nH]2 c3348300be840747fe67d912fc21bab8 [1,0,1,0,0,0|0,0,2]=4 391 B15R2.17340 CCCN(C)c1ncnc2c1CCN2 367509bc636c21028e881c3a47058905 [1,0,1,0,0,0|1,0,1]=4 392 B15R2.17340 CCCN(C)c1ncnc2c1cc[nH]2 c4417378ee2ab5a770516c2f6ade5552 [1,0,1,0,0,0|1,0,0]=3 393 B15R2.17340 CCCN(C)c1ncnc2c1ccs2 774b5ab5820e7ddbd3c9c8290fd67c93 [1,0,1,0,0,0|2,0,0]=4 394 B15R2.17340 CCCN(C)c1ncnc2c1nc[nH]2 e293dda51d474e8fb6785a4b7aa6bf62 [1,0,1,0,0,0|0,0,0]=2 395 B15R2.17340 CN(CC#N)c1ncnc2c1nc[nH]2 2dee59887424ae1973abb7c0eb7ef784 [1,0,1,0,0,0|1,0,1]=4 396 B15R2.17340 CN(CC=O)c1ncnc2c1nc[nH]2 c3cb746600ae78c0845ae471a4338976 [1,0,1,0,0,0|0,0,2]=4 397 B15R2.17340 CN(CCF)c1ncnc2c1cc[nH]2 48e0e332a7ea411abf690a1c9b57ef48 [1,0,1,0,0,0|2,0,0]=4 398 B15R2.17340 CN(CCF)c1ncnc2c1nc[nH]2 d3441dbff169d4219ddeb106a962bc0e [1,0,1,0,0,0|1,0,0]=3 399 B15R2.17340 CN(CCF)c1ncnc2c1ncs2 b0898c917f7ab04363039671f2b41e60 [1,0,1,0,0,0|2,0,0]=4 400 B15R2.17340 CN(CCO)c1ccnc2c1cc[nH]2 516db4a34761e828a55fd16ca5bac9f0 [1,0,1,0,0,0|2,0,0]=4 401 B15R2.17340 CN(CCO)c1nccc2c1nco2 7c1e0018a674b97ee7538a3487699f23 [1,0,1,0,0,0|2,0,0]=4 402 B15R2.17340 CN(CCO)c1nccc2c1ncs2 bc47505f2da3bd6ed6e3a9467f309102 [1,0,1,0,0,0|2,0,0]=4 403 B15R2.17340 CN(CCO)c1ncnc2c1CCN2 4dfaee55eff3f79d8b8f421f12906382 [1,0,1,0,0,0|1,0,1]=4 404 B15R2.17340 CN(CCO)c1ncnc2c1cc[nH]2 6cd35fe3fc4c457360c59c2e78cab04c [1,0,1,0,0,0|1,0,0]=3 405 B15R2.17340 CN(CCO)c1ncnc2c1ccs2 d4d33cdca50106837b8c6dd1de2ef123 [1,0,1,0,0,0|2,0,0]=4 406 B15R2.17340 CN(CCO)c1ncnc2c1cn[nH]2 847e242b4854fca66a4bc35f734913b0 [1,0,1,0,0,0|2,0,0]=4 407 B15R2.17340 CN(CCO)c1ncnc2c1nc[nH]2 fe390c0050c6b976e42e9dde1519f9a4 [1,0,1,0,0,0|0,0,0]=2 408 B15R2.17340 CN(CCO)c1ncnc2c1ncs2 c46178089249ddd6bfc464dd5ca6e359 [1,0,1,0,0,0|1,0,0]=3 409 B15R2.17340 CN(CCO)c1ncnc2c1scc2 daff2cf2dff44c419fae617da111bf43 [1,0,1,0,0,0|2,0,0]=4 410 B15R2.17340 CN(CCO)c1ncnn2c1ncc2 323d0129a64ee85650bcfcc660b56bd3 [1,0,1,0,0,0|2,0,0]=4 411 B15R2.17340 CN(CCS)c1ncnc2c1cc[nH]2 a0f5448b021e22096db964610c872031 [1,0,1,0,0,0|1,1,0]=4 412 B15R2.17340 CN(CCS)c1ncnc2c1nc[nH]2 fc2a213c1ba70081274956a57e064ac1 [1,0,1,0,0,0|0,1,0]=3 413 B15R2.17340 COCN(C)c1ncnc2c1cc[nH]2 e97e3188c2178e8abeea769576e01b57 [1,0,1,0,0,0|1,0,0]=3 414 B15R2.17340 COCN(C)c1ncnc2c1nc[nH]2 1191de9c948df31d65fb40ab0b121810 [1,0,1,0,0,0|0,0,0]=2 415 B15R2.17340 CSCN(C)c1ncnc2c1cc[nH]2 e781cfb761f96cfc16ca72d930aae83f [1,0,1,0,0,0|1,1,0]=4 416 B15R2.17340 CSCN(C)c1ncnc2c1nc[nH]2 cff48579761d6bd053dd9a09e7545709 [1,0,1,0,0,0|0,1,0]=3 417 B15R2.15972 CCN(CC)c1ncnc2c1nc[nH]2 16eabbbd36f5ebfc263d1523caf653e0 [1,0,1,0,0,0|0,0,0]=2 418 B15R2.15972 CCN(CF)c1ncnc2c1nc[nH]2 6a98d5c76c3e3ed64d8b974f500f015d [1,0,1,0,0,0|1,0,0]=3 419 B15R2.15972 CCN(CO)c1ncnc2c1nc[nH]2 861dddb49038891da1d2f8f242858d62 [1,0,1,0,0,0|0,0,0]=2 420 B17R2.150 CCNc1cc(nc(n1)C)N2CCOCC2 acb7cc75ec66bb51ce5b85fe27135e0c [0,1,1,0,0,0|1,0,1]=4 421 B17R2.150 Cc1nc(cc(n1)N2CCOCC2)NCF be0a5f455528c21bf16023d800351397 [0,1,1,0,0,0|1,0,1]=4 422 B17R2.150 Cc1nc(cc(n1)N2CCOCC2)NCO e6e4ce0fc49568cdcd16d31d2a3066a0 [0,1,1,0,0,0|1,0,1]=4 423 B17R2.150 O=CNc1cc(cc(n1)Cl)N2CCOCC2 2f6c53cc687ee394cdf218a80cc60258 [0,1,1,0,0,0|2,0,0]=4 424 B17R2.238 C#CCNc1cc(ncn1)N2CCOCC2 7ae95954e7d2c858d42d53924962be61 [0,1,1,0,0,0|1,0,1]=4 425 B17R2.238 C=CCNc1cc(ccn1)N2CCOCC2 b0be45b1a342f328f73c18403c672cf9 [0,1,1,0,0,0|2,0,0]=4 426 B17R2.238 C=CCNc1cc(ncn1)N2CCCCC2 a640338e524f37e78145d3733112d883 [0,1,1,0,0,0|2,0,0]=4 427 B17R2.238 C=CCNc1cc(ncn1)N2CCOCC2 036e0782a9d7f65e286379a0e72e6ba9 [0,1,1,0,0,0|1,0,0]=3 428 B17R2.238 C=CCNc1ccnc(c1)N2CCOCC2 7c2498df22dd128ee4dfb9bb1d6dd94c [0,1,1,0,0,0|2,0,0]=4 429 B17R2.238 C=CCNc1ncnc(n1)N2CCOCC2 21ef5d3d50a075bf3bff65b6484e23d5 [0,1,1,0,0,0|2,0,0]=4 430 B17R2.238 CCCNc1cc(ncn1)N2CCOCC2 23716b2025b1a56c698bac409624f43a [0,1,1,0,0,0|1,0,1]=4 431 B17R2.238 COCNc1cc(ncn1)N2CCOCC2 8734454ee27a054933b2ec48888bb534 [0,1,1,0,0,0|1,0,1]=4 432 B17R2.238 CSCNc1cc(ncn1)N2CCOCC2 a0186e937b2145871d9596c39800f1b8 [0,1,1,0,0,0|1,0,1]=4 433 B17R2.238 FCCNc1cc(ncn1)N2CCOCC2 5f68faf8a0dbee350a4ec7c72c12e334 [0,1,1,0,0,0|1,0,1]=4 434 B17R2.238 N#CCNc1cc(ncn1)N2CCOCC2 477ce3d6f5f64970b01d3cbc7c1899be [0,1,1,0,0,0|0,0,2]=4 435 B17R2.238 O=CCNc1cc(ccn1)N2CCOCC2 050bf3b6dfd9cf9c524809f81362121b [0,1,1,0,0,0|2,0,0]=4 436 B17R2.238 O=CCNc1cc(ncn1)N2CCCCC2 e935c4290ff6f03f0f044c9ea5f750f1 [0,1,1,0,0,0|2,0,0]=4 437 B17R2.238 O=CCNc1cc(ncn1)N2CCOCC2 689505c3c10187b831e8a85d4dda4833 [0,1,1,0,0,0|1,0,0]=3 438 B17R2.238 O=CCNc1ccnc(c1)N2CCOCC2 b7e26c4f663c146bc796ad92487d6410 [0,1,1,0,0,0|2,0,0]=4 439 B17R2.238 O=CCNc1ncnc(n1)N2CCOCC2 399604798552542ddc04910adf69928f [0,1,1,0,0,0|2,0,0]=4 440 B17R2.238 O=CNCc1cc(ccn1)N2CCOCC2 52e28c623e480141ea6e742f0c7576f8 [0,1,1,0,0,0|2,0,0]=4 441 B17R2.238 O=CNCc1ccnc(c1)N2CCOCC2 d08ab12509d2531604a7b76e49556a02 [0,1,1,0,0,0|2,0,0]=4 442 B17R2.238 OCCNc1cc(ncn1)N2CCOCC2 9ec1238a3d6fa42ad8a116134bf81586 [0,1,1,0,0,0|1,0,1]=4 443 B17R2.238 SCCNc1cc(ncn1)N2CCOCC2 621aade071c6cc69488f50c264f5ab85 [0,1,1,0,0,0|1,0,1]=4 444 B17R2.247 CC(=O)Nc1cc(ccn1)N2CCOCC2 b06b417b01b7f8e68e443d6d551d032b [0,1,1,0,0,0|2,0,0]=4 445 B17R2.247 CC(C)Nc1cc(ncn1)N2CCOCC2 320d4dde085823902872a2baa168f7a7 [0,1,1,0,0,0|1,0,1]=4 446 B17R2.8178 C#CCCCN(C)c1ncnc2c1nc[nH]2 876a2d3ddb819472ea7c4b0fc522a06a [0,1,1,0,0,0|1,0,1]=4 447 B17R2.8178 C=CCCCN(C)c1ncnc2c1nc[nH]2 8eb15999f30f39f7c76544a6a5c6092d [0,1,1,0,0,0|1,0,1]=4 448 B17R2.8178 CC/C=C/CN(C)c1ncnc2c1nc[nH]2 e45c6f69a0738cf70308fd9cced200ad [0,1,1,0,0,0|1,0,1]=4 449 B17R2.8178 CCCCCN(C)c1ncnc2c1cc[nH]2 ad452a4fdd634be6f3a6052d6effaac1 [0,1,1,0,0,0|2,0,0]=4 450 B17R2.8178 CCCCCN(C)c1ncnc2c1nc[nH]2 05300f782acb73b67fec2d0c5b006baf [0,1,1,0,0,0|1,0,0]=3 451 B17R2.8178 CCCCCN(C)c1ncnc2c1ncs2 988a0b49cdf83da03c97e803b5cf99f5 [0,1,1,0,0,0|2,0,0]=4 452 B17R2.8178 CCOCCN(C)c1ccnc2c1cc[nH]2 afcaa07c25bebf050f5c98f7c9bf4923 [0,1,1,0,0,0|2,0,0]=4 453 B17R2.8178 CCOCCN(C)c1ccnc2c1nc[nH]2 2af0e511cbf775a777164dfdeb3ad005 [0,1,1,0,0,0|1,0,0]=3 454 B17R2.8178 CCOCCN(C)c1ncnc2c1CCN2 512dd163f0bc5ac1921bc31f4ae336ad [0,1,1,0,0,0|1,0,1]=4 455 B17R2.8178 CCOCCN(C)c1ncnc2c1[nH]cc2 268cf2c674d09555e7f1ff1cbc71819e [0,1,1,0,0,0|1,0,1]=4 456 B17R2.8178 CCOCCN(C)c1ncnc2c1cc[nH]2 855fa5e737cbf45b53cd032738042624 [0,1,1,0,0,0|1,0,0]=3 457 B17R2.8178 CCOCCN(C)c1ncnc2c1cco2 a9e84ee028259ece9b26d29176dfa3c1 [0,1,1,0,0,0|2,0,0]=4 458 B17R2.8178 CCOCCN(C)c1ncnc2c1ccs2 41d183a54cdd98d4da91fbc31b3e88a5 [0,1,1,0,0,0|2,0,0]=4 459 B17R2.8178 CCOCCN(C)c1ncnc2c1cn[nH]2 9bff3d66223a88854f2cc9e7373f3b17 [0,1,1,0,0,0|2,0,0]=4 460 B17R2.8178 CCOCCN(C)c1ncnc2c1nc[nH]2 d94ccefa014e342b684a9bb46029e3e1 [0,1,1,0,0,0|0,0,0]=2 461 B17R2.8178 CCOCCN(C)c1ncnc2c1ncs2 01f36ba9963ebd222e7e33db58549efa [0,1,1,0,0,0|1,0,0]=3 462 B17R2.8178 CCOCCN(C)c1ncnc2c1nn[nH]2 8dbaf82247356da965c3f780716c6b82 [0,1,1,0,0,0|1,0,0]=3 463 B17R2.8178 CCOCCN(C)c1ncnc2c1scc2 551bd7388512813c9135c39fcb2559ce [0,1,1,0,0,0|2,0,0]=4 464 B17R2.8178 CCOCCN(C)c1ncnc2c1scn2 c5e417bdc9769711b2108db14b404980 [0,1,1,0,0,0|1,0,1]=4 465 B17R2.8178 CCOCCN(C)c1ncnn2c1ncc2 b2d4e37dbb93555331f9a9ed224cd646 [0,1,1,0,0,0|2,0,0]=4 466 B17R2.8178 CCSCCN(C)c1ncnc2c1nc[nH]2 44017cc38ad444903be03bf0c5cf4276 [0,1,1,0,0,0|0,1,0]=3 467 B17R2.8178 CN(CCCC#N)c1ncnc2c1nc[nH]2 4bd668ab08e664425a5dda92e9c9dad9 [0,1,1,0,0,0|1,0,1]=4 468 B17R2.8178 CN(CCCC=O)c1ncnc2c1nc[nH]2 b484599d4ec96c3d6bd8bb59f00a60a6 [0,1,1,0,0,0|1,0,1]=4 469 B17R2.8178 CN(CCCCF)c1ncnc2c1cc[nH]2 40eeb4e064e039687c23e93ce47160f3 [0,1,1,0,0,0|2,0,0]=4 470 B17R2.8178 CN(CCCCF)c1ncnc2c1nc[nH]2 a02114e990c01a254e05ee38eb6ef2b7 [0,1,1,0,0,0|1,0,0]=3 471 B17R2.8178 CN(CCCCO)c1ncnc2c1cc[nH]2 f8fdd0c1bcc82346018b40f41f7f31ea [0,1,1,0,0,0|2,0,0]=4 472 B17R2.8178 CN(CCCCO)c1ncnc2c1nc[nH]2 408b4fcb3e5a73ca49abb5a71e5547c1 [0,1,1,0,0,0|1,0,0]=3 473 B17R2.8178 CN(CCCCO)c1ncnc2c1ncs2 3f1d06c317eb765c495647db000552fa [0,1,1,0,0,0|2,0,0]=4 474 B17R2.8178 COCCCN(C)c1ccnc2c1cc[nH]2 85573d9cc7d84a43884e42c28a005fe8 [0,1,1,0,0,0|2,0,0]=4 475 B17R2.8178 COCCCN(C)c1ncnc2c1CCN2 c20fb74803173f7e61733b2a50157137 [0,1,1,0,0,0|1,0,1]=4 476 B17R2.8178 COCCCN(C)c1ncnc2c1cc[nH]2 f60ddbf29b4d2cb9f1870cb6e53c138a [0,1,1,0,0,0|1,0,0]=3 477 B17R2.8178 COCCCN(C)c1ncnc2c1ccs2 a076cbaad569bef8ea334dff46b74036 [0,1,1,0,0,0|2,0,0]=4 478 B17R2.8178 COCCCN(C)c1ncnc2c1cn[nH]2 933d46df94ac7b308982711d08569392 [0,1,1,0,0,0|2,0,0]=4 479 B17R2.8178 COCCCN(C)c1ncnc2c1nc[nH]2 f05f24cb36eb5e49ec90d965d57f7bd2 [0,1,1,0,0,0|0,0,0]=2 480 B17R2.8178 COCCCN(C)c1ncnc2c1ncs2 f2c21eb0d8e1125a13311529de8cf688 [0,1,1,0,0,0|1,0,0]=3 481 B17R2.8178 COCCCN(C)c1ncnc2c1scc2 8262621f120c2a3b194e26d87dc47945 [0,1,1,0,0,0|2,0,0]=4 482 B17R2.8178 CSCCCN(C)c1ncnc2c1cc[nH]2 374b5d54593dd780de4a525913cd6f8e [0,1,1,0,0,0|1,1,0]=4 483 B17R2.8178 CSCCCN(C)c1ncnc2c1nc[nH]2 5fc06e0c79d6edbeea2ab9780523d30d [0,1,1,0,0,0|0,1,0]=3 484 B17R2.49228 C=C(CC)CN(C)c1ncnc2c1nc[nH]2 8cf850a3f19eb33ce5f5f571a0212011 [0,1,1,0,0,0|1,0,1]=4 485 B17R2.49228 C=C(CN(C)c1ncnc2c1cc[nH]2)OC 26bcbf0d0a1f47e495fc0642bc8c6c63 [0,1,1,0,0,0|1,0,1]=4 486 B17R2.49228 CC(C#N)CN(C)c1ncnc2c1nc[nH]2 8277abbe04e26406694e6474d861be3f [0,1,1,0,0,0|2,0,0]=4 487 B17R2.49228 CC(CO)CN(C)c1ncnc2c1nc[nH]2 ad2d1e9a9ca7504c21e1e842455a0b7a [0,1,1,0,0,0|2,0,0]=4 488 B17R2.49228 CCC(=O)CN(C)c1ncnc2c1nc[nH]2 0b81b3624147dead8b5a88bf6236588c [0,1,1,0,0,0|1,0,1]=4 489 B17R2.49228 CCC(C)CN(C)c1ncnc2c1cc[nH]2 25e1e5ed4ae21446335921b359bfe3f2 [0,1,1,0,0,0|2,0,0]=4 490 B17R2.49228 CCC(C)CN(C)c1ncnc2c1nc[nH]2 a9abd1576965568cd71bf5869616266e [0,1,1,0,0,0|1,0,0]=3 491 B17R2.49228 CCC(O)CN(C)c1ncnc2c1cc[nH]2 8478bc3b5fb55377cd476b24ba800187 [0,1,1,0,0,0|2,0,0]=4 492 B17R2.49228 CCC(O)CN(C)c1ncnc2c1nc[nH]2 e629f4502c4fd98b7eba12a8d257456c [0,1,1,0,0,0|1,0,0]=3 493 B17R2.49228 CCC(O)CN(C)c1ncnc2c1ncs2 41eb8c74b1e85eb5ae9466384fcd1dc2 [0,1,1,0,0,0|2,0,0]=4 494 B17R2.49228 CC[C@@H](C)CN(C)c1ncnc2c1cc[nH]2 d5e8143f64b371b5a52e5b8117219b0f [0,1,1,0,0,0|2,0,0]=4 495 B17R2.49228 CC[C@@H](C)CN(C)c1ncnc2c1nc[nH]2 9e975a49849f07b0e6dbc2fcff1027a7 [0,1,1,0,0,0|1,0,0]=3 496 B17R2.49228 CC[C@H](C)CN(C)c1ncnc2c1cc[nH]2 21c9190f3a540370a439fb1a01cc2428 [0,1,1,0,0,0|2,0,0]=4 497 B17R2.49228 CC[C@H](C)CN(C)c1ncnc2c1nc[nH]2 ed00a1d1b9407e888801df9b56baf1d4 [0,1,1,0,0,0|1,0,0]=3 498 B17R2.49228 CN(CC(O)CF)c1ncnc2c1nc[nH]2 8d2201932c96c9ff3d24afc19fb45dfa [0,1,1,0,0,0|2,0,0]=4 499 B17R2.49228 CN(CC(O)CO)c1ncnc2c1nc[nH]2 a131c79cd0b5c5608f4bd16c09176a51 [0,1,1,0,0,0|2,0,0]=4 500 B17R2.49228 CN(C[C@@H](O)CO)c1ncnc2c1nc[nH]2 33f7071a47aa8af85b6d2fc5d9967129 [0,1,1,0,0,0|2,0,0]=4 501 B17R2.49228 CN(C[C@H](O)CO)c1ncnc2c1nc[nH]2 3f418423bbdc2a9926f4641149205c97 [0,1,1,0,0,0|2,0,0]=4 502 B17R2.49228 CNC(=O)CN(C)c1ncnc2c1nc[nH]2 dedda1cde0fcf5c910c29d504cc91261 [0,1,1,0,0,0|1,0,1]=4 503 B17R2.49228 COC(=O)CN(C)c1ccnc2c1nc[nH]2 338d8229495f594b5d823188fb9b8fa1 [0,1,1,0,0,0|1,0,1]=4 504 B17R2.49228 COC(=O)CN(C)c1nccc2c1nc[nH]2 1171ba030889791474382eecf6469a74 [0,1,1,0,0,0|1,0,1]=4 505 B17R2.49228 COC(=O)CN(C)c1ncnc2c1cc[nH]2 52793b79490fc9b48b3b3bc897ece524 [0,1,1,0,0,0|1,0,1]=4 506 B17R2.49228 COC(=O)CN(C)c1ncnc2c1nc[nH]2 b02a9caf98a4aac4d689c13f823ef182 [0,1,1,0,0,0|0,0,1]=3 507 B17R2.49228 COC(=O)CN(C)c1ncnc2c1ncs2 fdd5b7d48e8a14f897c1db485b424cc4 [0,1,1,0,0,0|1,0,1]=4 508 B17R2.49228 COC(=O)CN(C)c1ncnc2c1nn[nH]2 8aa43c5ad12abb8cb1efd9a9b9a2e521 [0,1,1,0,0,0|1,0,1]=4 509 B17R2.49228 COC(C)CN(C)c1ncnc2c1cc[nH]2 31f1316c77721b09759ea66c63c953f5 [0,1,1,0,0,0|1,0,0]=3 510 B17R2.49228 COC(C)CN(C)c1ncnc2c1nc[nH]2 3c4f0f40e1a663b5a25d6ce956fd6022 [0,1,1,0,0,0|0,0,0]=2 511 B17R2.49228 CO[C@@H](C)CN(C)c1ncnc2c1cc[nH]2 c1084392743437f047351fd593cf89eb [0,1,1,0,0,0|1,0,0]=3 512 B17R2.49228 CO[C@@H](C)CN(C)c1ncnc2c1nc[nH]2 404379e104de66af1498cefb6fd3177d [0,1,1,0,0,0|0,0,0]=2 513 B17R2.49228 CO[C@H](C)CN(C)c1ncnc2c1cc[nH]2 8cf8c453d1df433555c75bc49ce229dc [0,1,1,0,0,0|1,0,0]=3 514 B17R2.49228 CO[C@H](C)CN(C)c1ncnc2c1nc[nH]2 20c58509fc64c35b11df3daa89848613 [0,1,1,0,0,0|0,0,0]=2 515 B17R2.49228 C[C@@H](CO)CN(C)c1ncnc2c1nc[nH]2 e4845d4a989c2950d0f2bf14150efafd [0,1,1,0,0,0|2,0,0]=4 516 B17R2.49228 C[C@H](CO)CN(C)c1ncnc2c1nc[nH]2 89817cf662ef5e6613e6c3ceed603491 [0,1,1,0,0,0|2,0,0]=4 517 B17R2.74638 CCCCN(C)c1ncnc2c1ccn2C 1181b02333602b0d96d596f98e02e3cc [0,1,1,0,0,0|2,0,0]=4 518 B17R2.74638 CCCCN(C)c1ncnc2c1nnn2C fd7405a71c40c1162cce924ca38e8f7b [0,1,1,0,0,0|2,0,0]=4 519 B17R2.74638 CN(CCON)c1ncnc2c1ccn2C d25bf6214aa32d46a9b424ca9a6ccab2 [0,1,1,0,0,0|2,0,0]=4 520 B17R2.74638 CN(CCON)c1ncnc2c1nnn2C 7fa10c0135a7493efed17cf8a51593c6 [0,1,1,0,0,0|2,0,0]=4 521 B17R2.74638 COCCN(C)c1cccc2c1ncn2C f7acc6005fe69e0eed66ae363f56a608 [0,1,1,0,0,0|2,0,0]=4 522 B17R2.74638 COCCN(C)c1nccc2c1ccn2C 168590c241b3cec757d354979d79712c [0,1,1,0,0,0|2,0,0]=4 523 B17R2.74638 COCCN(C)c1ncnc2c1ccn2C ebc8557deae32b51020c3853237f415f [0,1,1,0,0,0|1,0,0]=3 524 B17R2.74638 COCCN(C)c1ncnc2c1cnn2C 3fa656ea29e37e5b4fa316c61e103e94 [0,1,1,0,0,0|2,0,0]=4 525 B17R2.74638 COCCN(C)c1ncnc2c1nnn2C da1d9939910f9077be096cb93a91829f [0,1,1,0,0,0|1,0,0]=3 526 B17R2.74638 CSCCN(C)c1ncnc2c1ccn2C 406714c8bf19942c02b3e26efc2048d0 [0,1,1,0,0,0|1,1,0]=4 527 B17R2.74638 CSCCN(C)c1ncnc2c1nnn2C ce688947ed4ce22bb5e0449927e0cb5f [0,1,1,0,0,0|1,1,0]=4 528 B17R2.74646 C=CCCN(C)c1ncnc2c1nc([nH]2)C efd02584b2cf9a23d3bac21fc1065c56 [0,1,1,0,0,0|1,0,1]=4 529 B17R2.74646 CN(CCON)c1ncnc2c1CC(=O)N2 6c5c2aa28e9b1d5d40da291c6254c759 [0,1,1,0,0,0|2,0,0]=4 530 B17R2.74646 CN(CCON)c1ncnc2c1[nH]c(=O)[nH]2 f1b7efdf7b709296b2743bce180fc2fd [0,1,1,0,0,0|1,0,1]=4 531 B17R2.74646 COCCN(C)c1cccc2c1nc([nH]2)N ce92a405be276999802f890d6fac8612 [0,1,1,0,0,0|2,0,0]=4 532 B17R2.74646 COCCN(C)c1ccnc2c1CC(=O)N2 d078f8e9143b924f5d84918acf4bc02d [0,1,1,0,0,0|2,0,0]=4 533 B17R2.74646 COCCN(C)c1ccnc2c1[nH]c(=O)[nH]2 a5e9c28207abc33d51344cfadd91bd33 [0,1,1,0,0,0|1,0,1]=4 534 B17R2.74646 COCCN(C)c1ccnc2c1oc(=O)[nH]2 d10e6827ae95e3631ad6c6138a6c0953 [0,1,1,0,0,0|2,0,0]=4 535 B17R2.74646 COCCN(C)c1ncnc2c1cc([nH]2)C a3162f149a639d048918e80c608adc5d [0,1,1,0,0,0|1,0,0]=3 536 B17R2.74646 COCCN(C)c1ncnc2c1cc(o2)C c18752b5d1dc1e61a3f5ee71624f9fe2 [0,1,1,0,0,0|2,0,0]=4 537 B17R2.74646 COCCN(C)c1ncnc2c1cc(s2)C 81e57c8cd695cc2528fedf3c84e8c452 [0,1,1,0,0,0|2,0,0]=4 538 B17R2.74646 Cc1cc2c(ncnc2[nH]1)N(C)CCON 4e1a81e3277c87cda722df77e272320c [0,1,1,0,0,0|2,0,0]=4 539 B17R2.74646 Cc1nc2c(ncnc2[nH]1)N(C)CCON 447f6a9609207ce98dda0f15e02dbdf7 [0,1,1,0,0,0|1,0,0]=3 540 B17R2.74647 COCCN(C)c1ccnc2c1c(c[nH]2)C 19b0439bc66c3dceae0cbbcadebf6b9d [0,1,1,0,0,0|2,0,0]=4 541 B17R2.74647 COCCN(C)c1ccnc2c1c(c[nH]2)F 6b87e58b7faf3ed97b093bca96dcb1cf [0,1,1,0,0,0|2,0,0]=4 542 B17R2.74647 COCCN(C)c1ncnc2c1c(c[nH]2)C b0c5ce524a3c80f6ad9be6bf5a70021e [0,1,1,0,0,0|1,0,0]=3 543 B17R2.74647 COCCN(C)c1ncnc2c1n(cc2)C e541b5c05a3e9096866d9c640fdc4434 [0,1,1,0,0,0|1,0,1]=4 544 B17R2.74647 COCCN(C)c1ncnc2c1n(cn2)C 72bf743df87be1b989812b34c57636ac [0,1,1,0,0,0|0,0,2]=4 545 B17R2.74647 Cc1c[nH]c2c1c(ncn2)N(C)CCON 7301c6b4a640db245ca9d31862181441 [0,1,1,0,0,0|2,0,0]=4 546 B17R2.74682 C#CCCN(C)c1nc(nc2c1nc[nH]2)Cl 5baf484b22087bf52bbbc48f571f810f [0,1,1,0,0,0|1,0,1]=4 547 B17R2.74682 C/C=C/CN(C)c1nc(nc2c1nc[nH]2)Cl 23831df7fe695fa29c89ebeaac383273 [0,1,1,0,0,0|1,0,1]=4 548 B17R2.74682 C/C=C\CN(C)c1nc(nc2c1nc[nH]2)Cl 1c89128be7918f153edf7fe1c1cd140f [0,1,1,0,0,0|1,0,1]=4 549 B17R2.74682 C=CCCN(C)c1nc(nc2c1nc[nH]2)Cl c8209f57a6a7ea00e9d08a4a1dfd7ebf [0,1,1,0,0,0|1,0,1]=4 550 B17R2.74682 C=CCCN(C)c1nc(nc2c1nc[nH]2)F b964e5a9bd0be2be85abf8a9ad5f8755 [0,1,1,0,0,0|1,0,1]=4 551 B17R2.74682 CCCCN(C)c1nc(nc2c1nc[nH]2)Cl 27136653b619eb6398ca3ff893591416 [0,1,1,0,0,0|1,0,0]=3 552 B17R2.74682 CN(CCC#N)c1nc(nc2c1nc[nH]2)Cl 043950c339be7b79d81aeb5fc606839f [0,1,1,0,0,0|2,0,0]=4 553 B17R2.74682 CN(CCC=O)c1nc(nc2c1nc[nH]2)Cl a21d2582561410a476aaca3cfcd3524f [0,1,1,0,0,0|2,0,0]=4 554 B17R2.74682 CN(CCCF)c1nc(nc2c1nc[nH]2)Cl e11c24c262dbfa2327c82c5f58ce6f33 [0,1,1,0,0,0|2,0,0]=4 555 B17R2.74682 CN(CCCO)c1nc(nc2c1nc[nH]2)Cl bee4a85b26df6265d3e25b93cc0ca0a0 [0,1,1,0,0,0|2,0,0]=4 556 B17R2.74682 CN(CCCS)c1nc(nc2c1nc[nH]2)Cl 39fc8ae6cc702b555db0be57d1a16090 [0,1,1,0,0,0|2,0,0]=4 557 B17R2.74682 COCCN(C)c1nc(nc2c1ccs2)C 7241b4b59fe99b03559237dd64419710 [0,1,1,0,0,0|2,0,0]=4 558 B17R2.74682 COCCN(C)c1nc(nc2c1nc[nH]2)Cl 629976743d753c830c1155f2a5c69026 [0,1,1,0,0,0|0,0,0]=2 559 B17R2.74682 COCCN(C)c1nc(nc2c1scc2)C fd599522d354e1eec68b54a5d8d8e0d3 [0,1,1,0,0,0|2,0,0]=4 560 B17R2.74682 CSCCN(C)c1nc(nc2c1nc[nH]2)Cl 1e806c02b2a3ef068c9271a25f25eb8c [0,1,1,0,0,0|0,1,0]=3 561 B17R2.79430 C#CCCN(CC)c1ncnc2c1nc[nH]2 ec291522a458f6253e95523f13e4deea [0,1,1,0,0,0|1,0,1]=4 562 B17R2.79430 C/C=C/CN(CC)c1ncnc2c1nc[nH]2 fd6dcc8194a3dbd0767e1c8733cdf6e7 [0,1,1,0,0,0|1,0,1]=4 563 B17R2.79430 C/C=C\CN(CC)c1ncnc2c1nc[nH]2 051fe05fc2dcb9bfe355b18debd5862f [0,1,1,0,0,0|1,0,1]=4 564 B17R2.79430 C=CCCN(CC)c1ncnc2c1nc[nH]2 b50e9c74da1e3c5a64eb9c50635381ad [0,1,1,0,0,0|1,0,1]=4 565 B17R2.79430 CCCCN(CC)c1ncnc2c1nc[nH]2 ce540ca9146404ae72fd528dd7c124bc [0,1,1,0,0,0|1,0,0]=3 566 B17R2.79430 CCN(CCC#N)c1ncnc2c1nc[nH]2 8893accfb102301e402f0c1edfaee29f [0,1,1,0,0,0|2,0,0]=4 567 B17R2.79430 CCN(CCC=O)c1ncnc2c1nc[nH]2 0ea9c7c7ba24e37584da423cb3382584 [0,1,1,0,0,0|2,0,0]=4 568 B17R2.79430 CCN(CCCF)c1ncnc2c1nc[nH]2 5798d3a9604516934903216123ee18d3 [0,1,1,0,0,0|2,0,0]=4 569 B17R2.79430 CCN(CCCO)c1ncnc2c1nc[nH]2 0931085a9ddedacce35ea00659c005f3 [0,1,1,0,0,0|2,0,0]=4 570 B17R2.79430 CCN(CCCS)c1ncnc2c1nc[nH]2 2018602a37d8f3b2945b53f8d5884d66 [0,1,1,0,0,0|2,0,0]=4 571 B17R2.79430 CCN(CCOC)c1ncnc2c1CCN2 4e6290e9a815c86fe94c93e35f4a05fb [0,1,1,0,0,0|1,0,1]=4 572 B17R2.79430 CCN(CCOC)c1ncnc2c1ccs2 0bef763de93a2cae04c9ce48bd705450 [0,1,1,0,0,0|2,0,0]=4 573 B17R2.79430 CCN(CCOC)c1ncnc2c1nc[nH]2 2c77621610d173cd71255fa987ac1edd [0,1,1,0,0,0|0,0,0]=2 574 B17R2.79430 CCN(CCSC)c1ncnc2c1nc[nH]2 c7e731b34275ef3a1e1f6ddd8ea4ffad [0,1,1,0,0,0|0,1,0]=3 575 B17R2.90971 C/C(=C/CN(C)c1ncnc2c1nc[nH]2)/I 6df4795f8e2b22e4e9347bcc68cac499 [0,1,1,0,0,0|1,0,1]=4 576 B17R2.90971 C/C(=C\CN(C)c1ncnc2c1nc[nH]2)/Cl 5a9e6cbc1f816eb79ddb40107ffb6610 [0,1,1,0,0,0|1,0,1]=4 577 B17R2.90971 C=C(C)CCN(C)c1ncnc2c1cc[nH]2 99bb1725670fe110cf636825f630128a [0,1,1,0,0,0|2,0,0]=4 578 B17R2.90971 C=C(C)CCN(C)c1ncnc2c1nc[nH]2 42f9a23711b35f0f9cfe49ea349df4a8 [0,1,1,0,0,0|1,0,0]=3 579 B17R2.90971 CC(=CCN(C)c1ncnc2c1nc[nH]2)C 97813fbc785628a5f0bc008d679b45ef [0,1,1,0,0,0|1,0,1]=4 580 B17R2.90971 CC(=CCN(C)c1ncnc2c1nc[nH]2)Cl 08147c1f69a612d851649e38c6e663ec [0,1,1,0,0,0|1,0,1]=4 581 B17R2.90971 CC(=CCN(C)c1ncnc2c1nc[nH]2)I aacfc9515236244d46e2e317ae85ff00 [0,1,1,0,0,0|1,0,1]=4 582 B17R2.90971 CC(=O)CCN(C)c1ncnc2c1cc[nH]2 9be109782fcf949e2cefc5bc80410443 [0,1,1,0,0,0|2,0,0]=4 583 B17R2.90971 CC(=O)CCN(C)c1ncnc2c1nc[nH]2 8cfc72f25dea1c735f4af07226b27c94 [0,1,1,0,0,0|1,0,0]=3 584 B17R2.90971 CC(=O)OCN(C)c1ncnc2c1nc[nH]2 724005d486b2454fa9d3525351ef355e [0,1,1,0,0,0|2,0,0]=4 585 B17R2.90971 CC(C)CCN(C)c1ncnc2c1cc[nH]2 f09e862e7eabcfccdd3799a537951242 [0,1,1,0,0,0|2,0,0]=4 586 B17R2.90971 CC(C)CCN(C)c1ncnc2c1nc[nH]2 d176b70bd2fdf9c5b9d6ab441bac45eb [0,1,1,0,0,0|1,0,0]=3 587 B17R2.90971 CC(C)CCN(C)c1ncnc2c1ncs2 b70af1438481094114283bc9c849d795 [0,1,1,0,0,0|2,0,0]=4 588 B17R2.90971 CC(C)OCN(C)c1ncnc2c1nc[nH]2 9cbc16f943026ec16d4ee1ade2db5066 [0,1,1,0,0,0|2,0,0]=4 589 B17R2.90971 CC(O)CCN(C)c1ncnc2c1cc[nH]2 9b2a89a2dd3d92afa58ffebb33e475b6 [0,1,1,0,0,0|2,0,0]=4 590 B17R2.90971 CC(O)CCN(C)c1ncnc2c1nc[nH]2 32fc3a1865d9c4ad805fbed0e9ce4a2c [0,1,1,0,0,0|1,0,0]=3 591 B17R2.90971 CC(O)CCN(C)c1ncnc2c1ncs2 0096a87112f3fc974a5642cb288ee108 [0,1,1,0,0,0|2,0,0]=4 592 B17R2.90971 CN(C)CCN(C)c1ncnc2c1cc[nH]2 48e851a7205580fe4be038f9c03280c2 [0,1,1,0,0,0|2,0,0]=4 593 B17R2.90971 CN(C)CCN(C)c1ncnc2c1nc[nH]2 0c5f9ef6ab604a0a61a45b8bebc526fc [0,1,1,0,0,0|1,0,0]=3 594 B17R2.90971 CN(C)CCN(C)c1ncnc2c1ncs2 840f53484739eb5bc4f2a2d6da7208f5 [0,1,1,0,0,0|2,0,0]=4 595 B17R2.90971 CN(CCC(=O)N)c1ncnc2c1nc[nH]2 d9dd47b01f073f62cd60ffe94c72bab2 [0,1,1,0,0,0|2,0,0]=4 596 B17R2.90971 CN(CCC(=O)O)c1ncnc2c1nc[nH]2 b189dcde9d894a4326676357a337f6bf [0,1,1,0,0,0|2,0,0]=4 597 B17R2.90971 CN(CCS(=O)C)c1ncnc2c1cc[nH]2 3f734f6796241c6703766759aaf9fba6 [0,1,1,0,0,0|1,1,0]=4 598 B17R2.90971 CN(CCS(=O)C)c1ncnc2c1nc[nH]2 89b651e017433cb9a772717938ee649c [0,1,1,0,0,0|0,1,0]=3 599 B17R2.91184 CC(CC#N)N(C)c1ncnc2c1nc[nH]2 f2301eaf7768aefaa5e32fb6c80f38a3 [0,1,1,0,0,0|2,0,0]=4 600 B17R2.91184 CC(CCO)N(C)c1ncnc2c1nc[nH]2 8aeb41a82c6d3efcbbfd1974ab8fde10 [0,1,1,0,0,0|2,0,0]=4 601 B17R2.91184 CCCC(C)N(C)c1ncnc2c1cc[nH]2 8aebe5da89073ea33ff699a7d9ab2f6a [0,1,1,0,0,0|2,0,0]=4 602 B17R2.91184 CCCC(C)N(C)c1ncnc2c1nc[nH]2 da7000c1d4ccea5af8ca7773d9699e3e [0,1,1,0,0,0|1,0,0]=3 603 B17R2.91184 COCC(C)N(C)c1ncnc2c1cc[nH]2 23df3d3c9e46444180e42f5f4b4443c6 [0,1,1,0,0,0|1,0,0]=3 604 B17R2.91184 COCC(C)N(C)c1ncnc2c1nc[nH]2 04dd75d0180f44e2fd99db4fade7f15f [0,1,1,0,0,0|0,0,0]=2 605 B17R2.10878 C#CCCCCNc1ncnc2c1nc[nH]2 4208616553246b11572a50f6a8becc61 [0,1,1,0,0,0|1,0,1]=4 606 B17R2.10878 C#CCOCCNc1ccnc2c1nc[nH]2 74f64e61a4aaaedb52e1ec2f0844538a [0,1,1,0,0,0|1,0,1]=4 607 B17R2.10878 C#CCOCCNc1ncnc2c1cc[nH]2 8953c866bdfc1c5d0bdefacd884e0b58 [0,1,1,0,0,0|1,0,1]=4 608 B17R2.10878 C#CCOCCNc1ncnc2c1nc[nH]2 6927f63d2809db310381c8facd7fb292 [0,1,1,0,0,0|0,0,1]=3 609 B17R2.10878 C#CCOCCNc1ncnc2c1ncs2 2c614474887ed59e135a2b0916d5a07e [0,1,1,0,0,0|1,0,1]=4 610 B17R2.10878 C#CCOCCNc1ncnc2c1nn[nH]2 bdc592a6f1fedbe8f59f9233ba4035a9 [0,1,1,0,0,0|1,0,1]=4 611 B17R2.10878 C/C=C\CCCNc1ncnc2c1nc[nH]2 b57f49aa718217c08fc5ab49a1a55db3 [0,1,1,0,0,0|1,0,1]=4 612 B17R2.10878 C=CCCCCNc1ncnc2c1nc[nH]2 f236522c37464f1b00f0ad89cb19c228 [0,1,1,0,0,0|1,0,1]=4 613 B17R2.10878 C=CCOCCNc1ccnc2c1nc[nH]2 2f924a8460e23c9da064890685193837 [0,1,1,0,0,0|1,0,1]=4 614 B17R2.10878 C=CCOCCNc1ncnc2c1cc[nH]2 d4d268081480f452077a4092b63697f8 [0,1,1,0,0,0|1,0,1]=4 615 B17R2.10878 C=CCOCCNc1ncnc2c1nc[nH]2 d9f1b8f11ed4f8209b77f58ffb801bf3 [0,1,1,0,0,0|0,0,1]=3 616 B17R2.10878 C=CCOCCNc1ncnc2c1ncs2 5fc56a477ec3ab7e0037607875f92843 [0,1,1,0,0,0|1,0,1]=4 617 B17R2.10878 C=CCOCCNc1ncnc2c1nn[nH]2 e7ad115ea90fb00c065b4d78bcf74708 [0,1,1,0,0,0|1,0,1]=4 618 B17R2.10878 CC/C=C\CCNc1ccnc2c1nc[nH]2 849663e818bba9aced26602e03bfeaed [0,1,1,0,0,0|2,0,0]=4 619 B17R2.10878 CC/C=C\CCNc1ncnc2c1cc[nH]2 c9dfae4ec1b5515128e43698c5db9c90 [0,1,1,0,0,0|2,0,0]=4 620 B17R2.10878 CC/C=C\CCNc1ncnc2c1nc[nH]2 2f172d7cbae73b7bdedd4f0dc2ac1782 [0,1,1,0,0,0|1,0,0]=3 621 B17R2.10878 CC/C=C\CCNc1ncnc2c1ncs2 e058794a9eb5eb22d8c48541fcf4d17d [0,1,1,0,0,0|2,0,0]=4 622 B17R2.10878 CC/C=C\CCNc1ncnc2c1nn[nH]2 1c1ab7b7beafe79411828f4e94f276c6 [0,1,1,0,0,0|2,0,0]=4 623 B17R2.10878 CCC/C=C/CNc1ncnc2c1nc[nH]2 57dddc7876767383c93aecd9215bef02 [0,1,1,0,0,0|1,0,1]=4 624 B17R2.10878 CCC/C=C\CNc1ncnc2c1nc[nH]2 fb66d75f274ed0889c9390aaaf635dad [0,1,1,0,0,0|1,0,1]=4 625 B17R2.10878 CCCCCCNc1ccnc2c1nc[nH]2 75190a07fb078b79ae78d9bd6f897e2d [0,1,1,0,0,0|2,0,0]=4 626 B17R2.10878 CCCCCCNc1ncnc2c1cc[nH]2 75fe2022e85525ee3a64b15068da7257 [0,1,1,0,0,0|2,0,0]=4 627 B17R2.10878 CCCCCCNc1ncnc2c1ncs2 6472d97f235a08d1d237b10af4a7869e [0,1,1,0,0,0|2,0,0]=4 628 B17R2.10878 CCCCCCNc1ncnc2c1nn[nH]2 5e1e265545a46ce82e3bc97b3b5c5f5a [0,1,1,0,0,0|2,0,0]=4 629 B17R2.10878 CCCCCNCc1ccnc2c1nc[nH]2 93c414508fd2158c5ff0d9a53038c1a6 [0,1,1,0,0,0|2,0,0]=4 630 B17R2.10878 CCCCCNCc1nccc2c1nc[nH]2 8ec1628cfc0a2773039f69ce5de995db [0,1,1,0,0,0|2,0,0]=4 631 B17R2.10878 CCCCOCCc1ncnc2c1nc[nH]2 196529868eb3a069d47e3ea5202077cb [0,1,1,0,0,0|2,0,0]=4 632 B17R2.10878 CCCCOCNc1ccnc2c1nc[nH]2 b867476256adb56bc824805adba09f06 [0,1,1,0,0,0|2,0,0]=4 633 B17R2.10878 CCCCOCNc1ncnc2c1cc[nH]2 dcf6d5061e51efffbc4ffa5592946d00 [0,1,1,0,0,0|2,0,0]=4 634 B17R2.10878 CCCCOCNc1ncnc2c1nc[nH]2 0edea759fbf0b3231352fbb610708eed [0,1,1,0,0,0|1,0,0]=3 635 B17R2.10878 CCCCOCNc1ncnc2c1ncs2 a22134bcb79f82e4de212a8c231159f3 [0,1,1,0,0,0|2,0,0]=4 636 B17R2.10878 CCCCOCNc1ncnc2c1nn[nH]2 a43cd1f3fc7e8d07b402b3abac80fbe0 [0,1,1,0,0,0|2,0,0]=4 637 B17R2.10878 CCCOCCNc1cccc2c1nc[nH]2 89794f070bddabf0871efa6306fa4304 [0,1,1,0,0,0|2,0,0]=4 638 B17R2.10878 CCCOCCNc1ccnc2c1cc[nH]2 2a6a773f69d98770d175db235e8f9aa8 [0,1,1,0,0,0|2,0,0]=4 639 B17R2.10878 CCCOCCNc1ccnc2c1nc[nH]2 402f0de79cd185a75cf6eb6969b44112 [0,1,1,0,0,0|1,0,0]=3 640 B17R2.10878 CCCOCCNc1ccnc2c1nn[nH]2 d2f12b9e1359c8e96d1d4dec6ea3d14c [0,1,1,0,0,0|2,0,0]=4 641 B17R2.10878 CCCOCCNc1nc[nH]c-2ccnc12 ec4d0bd89756a3eeceb3d145e4403333 [0,1,1,0,0,0|1,0,1]=4 642 B17R2.10878 CCCOCCNc1nccc2c1cc[nH]2 1dfe1f59fcbb016f426f041ae1fe4335 [0,1,1,0,0,0|2,0,0]=4 643 B17R2.10878 CCCOCCNc1nccc2c1nco2 60cae534ab9a1044ac31423b157403ed [0,1,1,0,0,0|2,0,0]=4 644 B17R2.10878 CCCOCCNc1nccc2c1ncs2 74c1c1461d91ae667132494f2d08dd04 [0,1,1,0,0,0|2,0,0]=4 645 B17R2.10878 CCCOCCNc1ncnc2c1CCN2 2de3cd3727681c08a018ee4769833b95 [0,1,1,0,0,0|1,0,1]=4 646 B17R2.10878 CCCOCCNc1ncnc2c1[nH]cc2 cfdd2c1338167898d90f95c79373bf01 [0,1,1,0,0,0|1,0,1]=4 647 B17R2.10878 CCCOCCNc1ncnc2c1cc[nH]2 20e1f8826daf05e68bfb3a8eeaf11245 [0,1,1,0,0,0|1,0,0]=3 648 B17R2.10878 CCCOCCNc1ncnc2c1cco2 b481dd3b221818d057114840cbc67845 [0,1,1,0,0,0|2,0,0]=4 649 B17R2.10878 CCCOCCNc1ncnc2c1ccs2 88767499617356bff5a66c88e54d52ff [0,1,1,0,0,0|2,0,0]=4 650 B17R2.10878 CCCOCCNc1ncnc2c1cn[nH]2 204b0487fb3c88c2e86e12ace10eb935 [0,1,1,0,0,0|2,0,0]=4 651 B17R2.10878 CCCOCCNc1ncnc2c1nc[nH]2 87e814c773485bb9b44cf61930acd0d2 [0,1,1,0,0,0|0,0,0]=2 652 B17R2.10878 CCCOCCNc1ncnc2c1ncs2 2b54c9128ba0ab62edaef6fd9c516ab4 [0,1,1,0,0,0|1,0,0]=3 653 B17R2.10878 CCCOCCNc1ncnc2c1nn[nH]2 a9f0f8c8e3baf6fd2eab87a8804ea5a8 [0,1,1,0,0,0|1,0,0]=3 654 B17R2.10878 CCCOCCNc1ncnc2c1occ2 8d75d4a903d4b37f82aa3456763f2eb7 [0,1,1,0,0,0|2,0,0]=4 655 B17R2.10878 CCCOCCNc1ncnc2c1scc2 c8681c0b011e19c893bc8970aa197397 [0,1,1,0,0,0|2,0,0]=4 656 B17R2.10878 CCCOCCNc1ncnc2n1ncn2 2b8a77b881b1d05036581c3254778745 [0,1,1,0,0,0|1,0,1]=4 657 B17R2.10878 CCCOCCNc1ncnn2c1ncc2 49ef34a3ad40fbcf5c1441b16f287333 [0,1,1,0,0,0|2,0,0]=4 658 B17R2.10878 CCCOCCOc1ncnc2c1cc[nH]2 5bbaa347dd5e11ba554d4ef4cc18a149 [0,1,1,0,0,0|2,0,0]=4 659 B17R2.10878 CCCOCCOc1ncnc2c1ncs2 fd89d62a7dded2de132f9c947877dcea [0,1,1,0,0,0|2,0,0]=4 660 B17R2.10878 CCOCCCNc1cccc2c1nc[nH]2 90a959bc057637f5005b5490fcd0d81b [0,1,1,0,0,0|2,0,0]=4 661 B17R2.10878 CCOCCCNc1ccnc2c1cc[nH]2 6b24a3377dbf0a431f2e21fc416deb79 [0,1,1,0,0,0|2,0,0]=4 662 B17R2.10878 CCOCCCNc1ccnc2c1nc[nH]2 d0fed5a1edb715ad57e0e09110f18cd8 [0,1,1,0,0,0|1,0,0]=3 663 B17R2.10878 CCOCCCNc1nc[nH]c-2ccnc12 640b97c4b32027c149124f622e2f3b04 [0,1,1,0,0,0|1,0,1]=4 664 B17R2.10878 CCOCCCNc1nccc2c1cc[nH]2 cabb197c58b6bca1813f07f2fd8cdb48 [0,1,1,0,0,0|2,0,0]=4 665 B17R2.10878 CCOCCCNc1nccc2c1ncs2 44cf19a06f8a055a25afaca2d0b4af4e [0,1,1,0,0,0|2,0,0]=4 666 B17R2.10878 CCOCCCNc1ncnc2c1CCN2 f7cf2cb44e087323441a83c88d991e15 [0,1,1,0,0,0|1,0,1]=4 667 B17R2.10878 CCOCCCNc1ncnc2c1[nH]cc2 b3d7ae333b729f7c9209fc207d620b28 [0,1,1,0,0,0|1,0,1]=4 668 B17R2.10878 CCOCCCNc1ncnc2c1cc[nH]2 e915ffd41a836b2cab533d1c92637fa7 [0,1,1,0,0,0|1,0,0]=3 669 B17R2.10878 CCOCCCNc1ncnc2c1cco2 0e7c29f438345d84ca6a7516b7180f05 [0,1,1,0,0,0|2,0,0]=4 670 B17R2.10878 CCOCCCNc1ncnc2c1ccs2 2e680b061d95c25eac64eff9b0bf3d65 [0,1,1,0,0,0|2,0,0]=4 671 B17R2.10878 CCOCCCNc1ncnc2c1cn[nH]2 30928e8962232e4403a0e708dfc21580 [0,1,1,0,0,0|2,0,0]=4 672 B17R2.10878 CCOCCCNc1ncnc2c1nc[nH]2 35b7b540deb54497ae870f36cb6605d4 [0,1,1,0,0,0|0,0,0]=2 673 B17R2.10878 CCOCCCNc1ncnc2c1ncs2 5ef605dd53462d0de3a1dc05b2ae248a [0,1,1,0,0,0|1,0,0]=3 674 B17R2.10878 CCOCCCNc1ncnc2c1nn[nH]2 9bead4c56d2df29e1b2003ef838e048b [0,1,1,0,0,0|1,0,0]=3 675 B17R2.10878 CCOCCCNc1ncnc2c1scc2 f7b2cdb637d43a309c19230b3bf3afc3 [0,1,1,0,0,0|2,0,0]=4 676 B17R2.10878 CCOCCCNc1ncnc2n1ncn2 ea9954d10e4c02f8316e82d360ff17ff [0,1,1,0,0,0|1,0,1]=4 677 B17R2.10878 CCOCCCNc1ncnn2c1ncc2 00e7ae8ab7e9d84ebdddf6ef44819628 [0,1,1,0,0,0|2,0,0]=4 678 B17R2.10878 CCOCCCOc1ncnc2c1cc[nH]2 ff1a86f473d6b0605dbdee49502ee93b [0,1,1,0,0,0|2,0,0]=4 679 B17R2.10878 CCOCCCOc1ncnc2c1ncs2 12ddb26766bc279d8dbf7accd262a372 [0,1,1,0,0,0|2,0,0]=4 680 B17R2.10878 CCOCCNCc1ccnc2c1cc[nH]2 5167ed3f9e4ce239122bb23d3427021c [0,1,1,0,0,0|2,0,0]=4 681 B17R2.10878 CCOCCNCc1ccnc2c1nc[nH]2 e677ae8475898307b850b48bcf911970 [0,1,1,0,0,0|1,0,0]=3 682 B17R2.10878 CCOCCNCc1nccc2c1cc[nH]2 bf5cc83467a84b8c88157944aaee43e8 [0,1,1,0,0,0|2,0,0]=4 683 B17R2.10878 CCOCCNCc1nccc2c1nc[nH]2 92d64b6763f8d7fea7dfd82cb143d3d1 [0,1,1,0,0,0|1,0,0]=3 684 B17R2.10878 CCOCCOCc1ncnc2c1cc[nH]2 bdcf60e2ef4b7b7bc4c3bf78e86f5812 [0,1,1,0,0,0|2,0,0]=4 685 B17R2.10878 CCSCCCNc1ccnc2c1nc[nH]2 5fa4e18e66130aed3c3f016b65000697 [0,1,1,0,0,0|1,1,0]=4 686 B17R2.10878 CCSCCCNc1ncnc2c1cc[nH]2 69913b4c87619c95ecff2ae8a61af9b4 [0,1,1,0,0,0|1,1,0]=4 687 B17R2.10878 CCSCCCNc1ncnc2c1nc[nH]2 1ee242f47d854737c6baa80f5b9daed3 [0,1,1,0,0,0|0,1,0]=3 688 B17R2.10878 CCSCCCNc1ncnc2c1ncs2 6c1d63115292ff1c6b6de61c74ebda50 [0,1,1,0,0,0|1,1,0]=4 689 B17R2.10878 CCSCCCNc1ncnc2c1nn[nH]2 d430462b427cffecbe8f415e848313f4 [0,1,1,0,0,0|1,1,0]=4 690 B17R2.10878 CCSCCNCc1ccnc2c1nc[nH]2 e23fd229e28aced44749643cfc7181c7 [0,1,1,0,0,0|1,1,0]=4 691 B17R2.10878 CCSCCNCc1nccc2c1nc[nH]2 8e2e904d6314c1b2c269312e4dccc35f [0,1,1,0,0,0|1,1,0]=4 692 B17R2.10878 COCCCCNc1ccnc2c1nc[nH]2 1dfc2a6225a577bca07df549ae24833f [0,1,1,0,0,0|2,0,0]=4 693 B17R2.10878 COCCCCNc1ncnc2c1cc[nH]2 f965d990841d3a83986678f32303e42f [0,1,1,0,0,0|2,0,0]=4 694 B17R2.10878 COCCCCNc1ncnc2c1nc[nH]2 ec0c5f2ce0852769e399984bb6df32a6 [0,1,1,0,0,0|1,0,0]=3 695 B17R2.10878 COCCCCNc1ncnc2c1ncs2 31692fe48f938b68e6921f2e7a5b7656 [0,1,1,0,0,0|2,0,0]=4 696 B17R2.10878 COCCCCNc1ncnc2c1nn[nH]2 b83bcf97cb5c262d78f33e78097bf5a7 [0,1,1,0,0,0|2,0,0]=4 697 B17R2.10878 COCOCCNc1cccc2c1nc[nH]2 a59187bdb750588b179155af3916af0d [0,1,1,0,0,0|2,0,0]=4 698 B17R2.10878 COCOCCNc1ccnc2c1cc[nH]2 ab2bca34b4527db8650e6d5c4fe59804 [0,1,1,0,0,0|2,0,0]=4 699 B17R2.10878 COCOCCNc1ccnc2c1nc[nH]2 89a86bf0a1b2363852976ce77d666fba [0,1,1,0,0,0|1,0,0]=3 700 B17R2.10878 COCOCCNc1nc[nH]c-2ccnc12 64f4961fc01dfd9ab215eecedde5d4bd [0,1,1,0,0,0|1,0,1]=4 701 B17R2.10878 COCOCCNc1nccc2c1cc[nH]2 1ac061fd07f746860c3cd81c0086b6e0 [0,1,1,0,0,0|2,0,0]=4 702 B17R2.10878 COCOCCNc1nccc2c1ncs2 273bfac44f524d6c53029fa2ecc4e7c0 [0,1,1,0,0,0|2,0,0]=4 703 B17R2.10878 COCOCCNc1ncnc2c1[nH]cc2 ded40190ee40bfccb48fa0190f676ec0 [0,1,1,0,0,0|1,0,1]=4 704 B17R2.10878 COCOCCNc1ncnc2c1cc[nH]2 33399f1b8b0d7c95227ca87e50d0fef1 [0,1,1,0,0,0|1,0,0]=3 705 B17R2.10878 COCOCCNc1ncnc2c1cco2 47686e934e02b3eff491832346283ec8 [0,1,1,0,0,0|2,0,0]=4 706 B17R2.10878 COCOCCNc1ncnc2c1ccs2 6f235f1554714d52cf63a4d2ec48e07e [0,1,1,0,0,0|2,0,0]=4 707 B17R2.10878 COCOCCNc1ncnc2c1cn[nH]2 49c5d0b24b8518e37197e0719169799f [0,1,1,0,0,0|2,0,0]=4 708 B17R2.10878 COCOCCNc1ncnc2c1nc[nH]2 fdeb14ab7fa5f3ce45af15389b641588 [0,1,1,0,0,0|0,0,0]=2 709 B17R2.10878 COCOCCNc1ncnc2c1ncs2 5fa5d45dcd56467dcc37249ed40a6801 [0,1,1,0,0,0|1,0,0]=3 710 B17R2.10878 COCOCCNc1ncnc2c1nn[nH]2 3084edcb45b204d9e6fff20d1149a76d [0,1,1,0,0,0|1,0,0]=3 711 B17R2.10878 COCOCCNc1ncnc2c1scc2 d1d54715287a8a1df4ad659fbbbeb3c4 [0,1,1,0,0,0|2,0,0]=4 712 B17R2.10878 COCOCCNc1ncnc2n1ncn2 9c04a2bfc94fb4d9f16bf60efbe118a2 [0,1,1,0,0,0|1,0,1]=4 713 B17R2.10878 COCOCCNc1ncnn2c1ncc2 f4725a8cf652220312df83778094bb2d [0,1,1,0,0,0|2,0,0]=4 714 B17R2.10878 COCOCCOc1ncnc2c1cc[nH]2 8122a1315dc65a2913213ba3eac4098f [0,1,1,0,0,0|2,0,0]=4 715 B17R2.10878 COCOCCOc1ncnc2c1ncs2 1463fa0f9cc9fefb539dbaac9eee6041 [0,1,1,0,0,0|2,0,0]=4 716 B17R2.10878 CSCCCCNc1ccnc2c1nc[nH]2 d87fbf1373202719c9533ca45eb72074 [0,1,1,0,0,0|2,0,0]=4 717 B17R2.10878 CSCCCCNc1ncnc2c1cc[nH]2 dcbc35733eb5e04d74ae6cb4ddfe60d2 [0,1,1,0,0,0|2,0,0]=4 718 B17R2.10878 ClCCCCCNc1ccnc2c1nc[nH]2 e051c477721b7ac7688056f8c853a8e4 [0,1,1,0,0,0|2,0,0]=4 719 B17R2.10878 ClCCCCCNc1ncnc2c1cc[nH]2 b4f816b1d6f14683e8da0c054e992e53 [0,1,1,0,0,0|2,0,0]=4 720 B17R2.10878 ClCCCCCNc1ncnc2c1ncs2 627afa18192c52b58be743b884b2f375 [0,1,1,0,0,0|2,0,0]=4 721 B17R2.10878 FCCCCCNc1ccnc2c1nc[nH]2 f09dcea8d25d52f35858e2ea1647384b [0,1,1,0,0,0|2,0,0]=4 722 B17R2.10878 FCCCCCNc1ncnc2c1cc[nH]2 95fa6303bc39d2d1b3910388b198a803 [0,1,1,0,0,0|2,0,0]=4 723 B17R2.10878 FCCCCCNc1ncnc2c1nc[nH]2 17d03eb99ed2145add056488aced5751 [0,1,1,0,0,0|1,0,0]=3 724 B17R2.10878 FCCCCCNc1ncnc2c1ncs2 5780833c3391a8e86cc53148dd62f7d9 [0,1,1,0,0,0|2,0,0]=4 725 B17R2.10878 FCCCCCNc1ncnc2c1nn[nH]2 923b962023180c59426018ccf66617ac [0,1,1,0,0,0|2,0,0]=4 726 B17R2.10878 N#CCCCCNc1ncnc2c1nc[nH]2 675395d4f9747a6723771ec52e99f7b5 [0,1,1,0,0,0|1,0,1]=4 727 B17R2.10878 N#CCOCCNc1ccnc2c1nc[nH]2 e99a5185d9a6fb306f4b1e0242ab6726 [0,1,1,0,0,0|1,0,1]=4 728 B17R2.10878 N#CCOCCNc1ncnc2c1cc[nH]2 dcef93fe7193925155b0045c42a2c291 [0,1,1,0,0,0|1,0,1]=4 729 B17R2.10878 N#CCOCCNc1ncnc2c1nc[nH]2 436cf2df77463a87c11c9b8a8e46c1f9 [0,1,1,0,0,0|0,0,1]=3 730 B17R2.10878 N#CCOCCNc1ncnc2c1ncs2 a1f902ef66a06531adffad3c3d706d20 [0,1,1,0,0,0|1,0,1]=4 731 B17R2.10878 N#CCOCCNc1ncnc2c1nn[nH]2 38f86f10f30c0757815a250bcba6331b [0,1,1,0,0,0|1,0,1]=4 732 B17R2.10878 NOCCCCNc1ncnc2c1nc[nH]2 ca8cc62f946c3ca1a4284be9d231692a [0,1,1,0,0,0|2,0,0]=4 733 B17R2.10878 O=CCCCCNc1ncnc2c1nc[nH]2 bc93939519e13b0f506c62781308179d [0,1,1,0,0,0|1,0,1]=4 734 B17R2.10878 O=CCOCCNc1ccnc2c1nc[nH]2 e8080ec79b0bf6c2932663d785eed34b [0,1,1,0,0,0|1,0,1]=4 735 B17R2.10878 O=CCOCCNc1ncnc2c1cc[nH]2 c4aa7718c5c3aa17207c8132c5f36bda [0,1,1,0,0,0|1,0,1]=4 736 B17R2.10878 O=CCOCCNc1ncnc2c1nc[nH]2 72b3cc4976f436fb8f7367e9a754ce61 [0,1,1,0,0,0|0,0,1]=3 737 B17R2.10878 O=CCOCCNc1ncnc2c1ncs2 f3381c0a487ae5782adddc779796f56d [0,1,1,0,0,0|1,0,1]=4 738 B17R2.10878 O=CCOCCNc1ncnc2c1nn[nH]2 9508d0598c571a0f5da979b053ab9ed4 [0,1,1,0,0,0|1,0,1]=4 739 B17R2.10878 OCCCCCNc1ccnc2c1nc[nH]2 b0a8ee5336588059f8370752c201bf10 [0,1,1,0,0,0|2,0,0]=4 740 B17R2.10878 OCCCCCNc1ncnc2c1cc[nH]2 8a4c15cb991c4bee7858b517e7ade285 [0,1,1,0,0,0|2,0,0]=4 741 B17R2.10878 OCCCCCNc1ncnc2c1ncs2 f0cb468e2a9004bac1e3c2e7d2f08276 [0,1,1,0,0,0|2,0,0]=4 742 B17R2.10878 OCCCCCNc1ncnc2c1nn[nH]2 5134052a492f23274bfa8eb4c8a39edf [0,1,1,0,0,0|2,0,0]=4 743 B17R2.10878 OCCOCCNc1cccc2c1nc[nH]2 7be040fd80fb180e73ac6dc94511ebc5 [0,1,1,0,0,0|2,0,0]=4 744 B17R2.10878 OCCOCCNc1ccnc2c1cc[nH]2 00e951cec9caa983648d2b3766fc8b05 [0,1,1,0,0,0|2,0,0]=4 745 B17R2.10878 OCCOCCNc1ccnc2c1nc[nH]2 15bd3da5f06e7032f014972b967714d7 [0,1,1,0,0,0|1,0,0]=3 746 B17R2.10878 OCCOCCNc1nc[nH]c-2ccnc12 b67af8ea59ade08b374972023eb96eb5 [0,1,1,0,0,0|1,0,1]=4 747 B17R2.10878 OCCOCCNc1nccc2c1cc[nH]2 9d8c30e91f0dd46ca864cacd793a7952 [0,1,1,0,0,0|2,0,0]=4 748 B17R2.10878 OCCOCCNc1nccc2c1nco2 101bfdff02be35e48e3a6e4893e21117 [0,1,1,0,0,0|2,0,0]=4 749 B17R2.10878 OCCOCCNc1nccc2c1ncs2 6d6444486aaf597a0adfc70498495c21 [0,1,1,0,0,0|2,0,0]=4 750 B17R2.10878 OCCOCCNc1ncnc2c1CCN2 0d6e0462df1464f4dec9d1107f9d6f7e [0,1,1,0,0,0|1,0,1]=4 751 B17R2.10878 OCCOCCNc1ncnc2c1[nH]cc2 c0b062a3a47fb24b4752cd993266dfcb [0,1,1,0,0,0|1,0,1]=4 752 B17R2.10878 OCCOCCNc1ncnc2c1cc[nH]2 8a514f88a727b186ace52d631752476c [0,1,1,0,0,0|1,0,0]=3 753 B17R2.10878 OCCOCCNc1ncnc2c1cco2 289fe215352ffae5519fadd5ccb5eb06 [0,1,1,0,0,0|2,0,0]=4 754 B17R2.10878 OCCOCCNc1ncnc2c1ccs2 e86edc4dbbb5a46b204ba1afc71225ba [0,1,1,0,0,0|2,0,0]=4 755 B17R2.10878 OCCOCCNc1ncnc2c1cn[nH]2 5333c0b7ba47c826dc6881cdee6ca2c6 [0,1,1,0,0,0|2,0,0]=4 756 B17R2.10878 OCCOCCNc1ncnc2c1nc[nH]2 1f351a7f9cf16aab33493fef80c2b845 [0,1,1,0,0,0|0,0,0]=2 757 B17R2.10878 OCCOCCNc1ncnc2c1ncs2 550254b72c4cecbae87a92f2004f968c [0,1,1,0,0,0|1,0,0]=3 758 B17R2.10878 OCCOCCNc1ncnc2c1nn[nH]2 3ae085aebc16dab5035bb696144d3758 [0,1,1,0,0,0|1,0,0]=3 759 B17R2.10878 OCCOCCNc1ncnc2c1occ2 89de1f95dcd283774919d38e0be1b0d8 [0,1,1,0,0,0|2,0,0]=4 760 B17R2.10878 OCCOCCNc1ncnc2c1scc2 c34068acd8d874be928fd5859a449ee2 [0,1,1,0,0,0|2,0,0]=4 761 B17R2.10878 OCCOCCNc1ncnc2n1ncn2 dca8fdf92a90eb232316e1c443280dd8 [0,1,1,0,0,0|1,0,1]=4 762 B17R2.10878 OCCOCCNc1ncnn2c1ncc2 26eb6e9dde57256c6b914f8dd246fb52 [0,1,1,0,0,0|2,0,0]=4 763 B17R2.10878 OCCSCCNc1ccnc2c1nc[nH]2 23c6a2d617d71adf5a3777acce7de80e [0,1,1,0,0,0|1,1,0]=4 764 B17R2.10878 SCCOCCNc1cccc2c1nc[nH]2 3000530f221044f698323ec0a3d7d4eb [0,1,1,0,0,0|2,0,0]=4 765 B17R2.10878 SCCOCCNc1ccnc2c1cc[nH]2 616db9b44cccf2197e3dddf24358d64c [0,1,1,0,0,0|2,0,0]=4 766 B17R2.10878 SCCOCCNc1ccnc2c1nc[nH]2 f3e258e280d0080fd7edd35811a47f63 [0,1,1,0,0,0|1,0,0]=3 767 B17R2.10878 SCCOCCNc1ccnc2c1nn[nH]2 990f068254282553df05a6116240c8b6 [0,1,1,0,0,0|2,0,0]=4 768 B17R2.10878 SCCOCCNc1nccc2c1cc[nH]2 d4bac4aee4169d759b63b30ace059b8e [0,1,1,0,0,0|2,0,0]=4 769 B17R2.10878 SCCOCCNc1nccc2c1nc[nH]2 3eaefa3c726c430efe29c82a4ba837d7 [0,1,1,0,0,0|1,0,0]=3 770 B17R2.10878 SCCOCCNc1nccc2c1nco2 fc1ba203cf18b8cd72df8d338e9f2d20 [0,1,1,0,0,0|2,0,0]=4 771 B17R2.10878 SCCOCCNc1nccc2c1ncs2 b4e1d135dc988c3758a5eb76685b8ea2 [0,1,1,0,0,0|2,0,0]=4 772 B17R2.10878 SCCOCCNc1ncnc2c1CCN2 b42db998bb9b7be495a3028c3da92d0a [0,1,1,0,0,0|1,0,1]=4 773 B17R2.10878 SCCOCCNc1ncnc2c1[nH]cc2 7f67009a0837ecd0811ad5cc3f9bbcfd [0,1,1,0,0,0|1,0,1]=4 774 B17R2.10878 SCCOCCNc1ncnc2c1cc[nH]2 c224d54e76a673045628801b149ceb96 [0,1,1,0,0,0|1,0,0]=3 775 B17R2.10878 SCCOCCNc1ncnc2c1cco2 c0bd23f1eec1b79f06f62ee1ee7d1ce8 [0,1,1,0,0,0|2,0,0]=4 776 B17R2.10878 SCCOCCNc1ncnc2c1ccs2 cd2e3f117742260c442359b76a8126f6 [0,1,1,0,0,0|2,0,0]=4 777 B17R2.10878 SCCOCCNc1ncnc2c1cn[nH]2 9743d23e23e0844fda211a2f3914d7c9 [0,1,1,0,0,0|2,0,0]=4 778 B17R2.10878 SCCOCCNc1ncnc2c1ncs2 9b0882a67ca7c6ab3154f98e51b2a834 [0,1,1,0,0,0|1,0,0]=3 779 B17R2.10878 SCCOCCNc1ncnc2c1nn[nH]2 e8ec9806e5412c7a60d790ee8a9b2148 [0,1,1,0,0,0|1,0,0]=3 780 B17R2.10878 SCCOCCNc1ncnc2c1occ2 49448bc0149b2a7bec8964286e8309cf [0,1,1,0,0,0|2,0,0]=4 781 B17R2.10878 SCCOCCNc1ncnc2c1scc2 99922ee5b36d5f5025ac6ba432ebaf02 [0,1,1,0,0,0|2,0,0]=4 782 B17R2.10878 SCCOCCNc1ncnn2c1ncc2 8c096499531c03ebeacf6eede087efeb [0,1,1,0,0,0|2,0,0]=4 783 B17R2.19045 CC/C=C/CNc1ncnc2c1ncn2C b2bbb63d3e42d02de4e6e02f71129da8 [0,1,1,0,0,0|1,0,1]=4 784 B17R2.19045 CCCCCNc1nccc2c1ncn2C 7ce9fef94d88fc683fa06e3f4976ecbb [0,1,1,0,0,0|2,0,0]=4 785 B17R2.19045 CCCCCNc1ncnc2c1ccn2C ab3c1e6942bbce5e8953d9541b18c281 [0,1,1,0,0,0|2,0,0]=4 786 B17R2.19045 CCCCCNc1ncnc2c1ncn2C db6b6004c3db131ab879b27466092c04 [0,1,1,0,0,0|1,0,0]=3 787 B17R2.19045 CCCCCNc1ncnc2c1nnn2C 88b66e6a22a14b106ebe08be74a05177 [0,1,1,0,0,0|2,0,0]=4 788 B17R2.19045 CCOCCNc1cccc2c1ncn2C 1db3d61c98602b6c70958494a266a901 [0,1,1,0,0,0|2,0,0]=4 789 B17R2.19045 CCOCCNc1ccnc2c1ccn2C 48ea50dc86822da3b328ae2c6c23d356 [0,1,1,0,0,0|2,0,0]=4 790 B17R2.19045 CCOCCNc1ccnc2c1ncn2C 97abe9a5b7ff5ad86f9580b07d205952 [0,1,1,0,0,0|1,0,0]=3 791 B17R2.19045 CCOCCNc1nccc2c1ccn2C 5865db2ff0cd303c78ea2e9a9bd67cc4 [0,1,1,0,0,0|2,0,0]=4 792 B17R2.19045 CCOCCNc1nccc2c1ncn2C bee1f80d077d8279de2d874bfec4903f [0,1,1,0,0,0|1,0,0]=3 793 B17R2.19045 CCOCCNc1ncnc2c1[nH]cc2Br 88e2fd4116dae3c625d8d2ce1b2fb136 [0,1,1,0,0,0|1,0,1]=4 794 B17R2.19045 CCOCCNc1ncnc2c1[nH]cc2I 335abc6e205351217d86d857a48fb96a [0,1,1,0,0,0|1,0,1]=4 795 B17R2.19045 CCOCCNc1ncnc2c1ccn2C 8ef1b26971d450dcb738751b2b1e2d88 [0,1,1,0,0,0|1,0,0]=3 796 B17R2.19045 CCOCCNc1ncnc2c1cnn2C ce95a497fdf6e21307624e5d6a57d367 [0,1,1,0,0,0|2,0,0]=4 797 B17R2.19045 CCOCCNc1ncnc2c1ncn2C 42ba43cb00d5633c7dc8230ef9ab5795 [0,1,1,0,0,0|0,0,0]=2 798 B17R2.19045 CCOCCNc1ncnc2c1nnn2C ab41716ae3414de3d4aff0d9fd9b2553 [0,1,1,0,0,0|1,0,0]=3 799 B17R2.19045 CCOCCNc1ncnc2c1scc2Br fae3fd92851b975f42cc4a2b4213a5eb [0,1,1,0,0,0|2,0,0]=4 800 B17R2.19045 CCOCCNc1ncnc2c1scc2C 43a2532e49a172a6639ddb9d9bee050f [0,1,1,0,0,0|2,0,0]=4 801 B17R2.19045 CCOCCNc1ncnc2n1ncc2Br 41363bbd3e64818834900c52cbf4ddce [0,1,1,0,0,0|2,0,0]=4 802 B17R2.19045 CCOCCNc1ncnn2c1ncc2Br 8c0d6f55ec6b68a296720e617a927c7f [0,1,1,0,0,0|2,0,0]=4 803 B17R2.19045 CCSCCNc1nccc2c1ncn2C de4e330e34e3ab70fac57414c67967da [0,1,1,0,0,0|1,1,0]=4 804 B17R2.19045 CCSCCNc1ncnc2c1ccn2C b4f3dce39e6c333bc4a8ec8d2079f1e0 [0,1,1,0,0,0|1,1,0]=4 805 B17R2.19045 CCSCCNc1ncnc2c1ncn2C f3e8bdedfaa6194664c8aa15ead03d28 [0,1,1,0,0,0|0,1,0]=3 806 B17R2.19045 COCCCNc1ncnc2c1ncn2C df377c5f0b7d4ad4776736f8eebb5680 [0,1,1,0,0,0|2,0,0]=4 807 B17R2.19045 CSCCCNc1ncnc2c1ncn2C a1eeb94071dc86c2725c044a80067de6 [0,1,1,0,0,0|2,0,0]=4 808 B17R2.19045 Cn1cnc2c1ncnc2NCCCCF 19c0df13f9d8c56fbc28f574c86da740 [0,1,1,0,0,0|2,0,0]=4 809 B17R2.19045 Cn1cnc2c1ncnc2NCCCCO 8cefcc1a78433b099853e7f1402b6dbd [0,1,1,0,0,0|2,0,0]=4 810 B17R2.19053 CC/C=C/CNc1ncnc2c1nc([nH]2)Br bfbfa3a22994a46f9e11d9c4b5abde61 [0,1,1,0,0,0|1,0,1]=4 811 B17R2.19053 CCCCCNc1nccc2c1nc([nH]2)C 16f1f414764dccf88af0f56a12c11c6e [0,1,1,0,0,0|2,0,0]=4 812 B17R2.19053 CCCCCNc1ncnc2c1cc([nH]2)C b8f3985e49a6d7e5f408e49131dee1b9 [0,1,1,0,0,0|2,0,0]=4 813 B17R2.19053 CCCCCNc1ncnc2c1nc([nH]2)Br 87eb49b408bddee051ad556a339945ff [0,1,1,0,0,0|1,0,0]=3 814 B17R2.19053 CCOCCNc1cccc2c1nc([nH]2)C aba01fb4f1e7d5e1b207ce24e3790671 [0,1,1,0,0,0|2,0,0]=4 815 B17R2.19053 CCOCCNc1cccc2c1nc([nH]2)Cl ac0e8837f7128e57d8aa860b772b21ae [0,1,1,0,0,0|2,0,0]=4 816 B17R2.19053 CCOCCNc1cccc2c1nc([nH]2)N bf1a418c7a4826099895b62fc272f2ec [0,1,1,0,0,0|2,0,0]=4 817 B17R2.19053 CCOCCNc1ccnc2c1CC(=O)N2 3334af560093101f03d4e69ae7ea819b [0,1,1,0,0,0|2,0,0]=4 818 B17R2.19053 CCOCCNc1ccnc2c1[nH]c(=O)[nH]2 03e108663023af8b30b9e1b08b81b796 [0,1,1,0,0,0|1,0,1]=4 819 B17R2.19053 CCOCCNc1ccnc2c1cc([nH]2)C 3a14cad57acd970a900c28aff0055d2c [0,1,1,0,0,0|2,0,0]=4 820 B17R2.19053 CCOCCNc1ccnc2c1nc([nH]2)C c0c88f037707efe25e134d2bf1cc15cd [0,1,1,0,0,0|1,0,0]=3 821 B17R2.19053 CCOCCNc1ccnc2c1oc(=O)[nH]2 a8f7a1866e013fd3d907f0058cd47298 [0,1,1,0,0,0|2,0,0]=4 822 B17R2.19053 CCOCCNc1nccc2c1CC(=O)N2 c6d4c6ab81b40e6fbb9f637c3f6295a0 [0,1,1,0,0,0|2,0,0]=4 823 B17R2.19053 CCOCCNc1nccc2c1cc([nH]2)C 13a35212e448527a5a1c9e2fa788a59d [0,1,1,0,0,0|2,0,0]=4 824 B17R2.19053 CCOCCNc1nccc2c1nc([nH]2)C e191388529356e9b19bd67c3d05376d1 [0,1,1,0,0,0|1,0,0]=3 825 B17R2.19053 CCOCCNc1nccc2c1nc([nH]2)O c1261cd69e5b38dbcdee2861842ce98b [0,1,1,0,0,0|1,0,0]=3 826 B17R2.19053 CCOCCNc1nccc2c1sc(=S)[nH]2 27142d7571013cbb23b7ee2aa6d34ac5 [0,1,1,0,0,0|2,0,0]=4 827 B17R2.19053 CCOCCNc1ncnc2c1CC(=O)N2 aab4132fd73ecaf35f3ddd3cfed48d49 [0,1,1,0,0,0|1,0,0]=3 828 B17R2.19053 CCOCCNc1ncnc2c1[nH]c(=O)[nH]2 a99b222b1226155a84f096257e3932ee [0,1,1,0,0,0|0,0,1]=3 829 B17R2.19053 CCOCCNc1ncnc2c1[nH]c(c2)C 9cd7ccfea9fff3ec2f7289c2d514454f [0,1,1,0,0,0|1,0,1]=4 830 B17R2.19053 CCOCCNc1ncnc2c1[nH]c(n2)C 814222d0837642444c5c6db1a2328b80 [0,1,1,0,0,0|0,0,2]=4 831 B17R2.19053 CCOCCNc1ncnc2c1cc([nH]2)C 39562cacae8712af6632ec5421f5c3b1 [0,1,1,0,0,0|1,0,0]=3 832 B17R2.19053 CCOCCNc1ncnc2c1cc(o2)C 457c8c35688c4db1b2360fde7a30bd0a [0,1,1,0,0,0|2,0,0]=4 833 B17R2.19053 CCOCCNc1ncnc2c1cc(s2)Br 6aa657832e9b0cf49ddfa48f86f82b54 [0,1,1,0,0,0|2,0,0]=4 834 B17R2.19053 CCOCCNc1ncnc2c1cc(s2)C 2ff04e1dbfaa8d788dc0bfecdb7f9557 [0,1,1,0,0,0|2,0,0]=4 835 B17R2.19053 CCOCCNc1ncnc2c1nc([nH]2)Br 7dcaf536f7e95cd80c735b68a528213a [0,1,1,0,0,0|0,0,0]=2 836 B17R2.19053 CCOCCNc1ncnc2c1nc([nH]2)S a429a32fdfd6ba9fa719a42497f0cb5b [0,1,1,0,0,0|0,0,0]=2 837 B17R2.19053 CCOCCNc1ncnc2c1sc(c2)C 3a988ec55fa006145f8ac79e900eb742 [0,1,1,0,0,0|2,0,0]=4 838 B17R2.19053 CCOCCNc1ncnc2n1nc(n2)C cdfcbed6b95e7bed067f1ba7fe491983 [0,1,1,0,0,0|1,0,1]=4 839 B17R2.19053 CCOCCOc1nccc2c1nc([nH]2)C d208b7fdeae6938c53ee4ade81b0dbc7 [0,1,1,0,0,0|2,0,0]=4 840 B17R2.19053 CCOCCOc1ncnc2c1cc([nH]2)C d466e6016c37ec332595d792e5d2fc42 [0,1,1,0,0,0|2,0,0]=4 841 B17R2.19053 CCSCCNc1nccc2c1nc([nH]2)C f47eb6310aa0d7f344ca4d814f0a66b3 [0,1,1,0,0,0|1,1,0]=4 842 B17R2.19053 CCSCCNc1ncnc2c1cc([nH]2)C bdadf289c8372da4822cd8e17d18e946 [0,1,1,0,0,0|1,1,0]=4 843 B17R2.19053 CCSCCNc1ncnc2c1nc([nH]2)Br 9d436641880f48c1608dab5d11d1e7cb [0,1,1,0,0,0|0,1,0]=3 844 B17R2.19053 COCCCNc1ncnc2c1nc([nH]2)Br f2c0e24c5a68a558aabc996d4266bdf0 [0,1,1,0,0,0|2,0,0]=4 845 B17R2.19053 COCCCNc1ncnc2c1nc([nH]2)S 11ac06a511a59e0645556da8d4fdf62e [0,1,1,0,0,0|2,0,0]=4 846 B17R2.19053 CSCCCNc1ncnc2c1nc([nH]2)Br 59bf9d1052ad8cff2aacc4e4c45dc400 [0,1,1,0,0,0|2,0,0]=4 847 B17R2.19053 FCCCCNc1ncnc2c1nc([nH]2)Br 04656caf2f193b9c22db25a15f6733aa [0,1,1,0,0,0|2,0,0]=4 848 B17R2.19053 OCCCCNc1ncnc2c1nc([nH]2)Br 6675e1f06cd8b697f14bd58eb8d87ff4 [0,1,1,0,0,0|2,0,0]=4 849 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)Br afb2c5720636eeb1f422fd5b807f2a09 [0,1,1,0,0,0|2,0,0]=4 850 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)C 6eb0c41db0374131d892205bfc790599 [0,1,1,0,0,0|2,0,0]=4 851 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)Cl f8e92f450ddfdb1f83afe612d2c60fc0 [0,1,1,0,0,0|2,0,0]=4 852 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)F 541da703170616f1303e0798ca42d8a0 [0,1,1,0,0,0|2,0,0]=4 853 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)I bcf49541521a4c6c03266e4289716fb0 [0,1,1,0,0,0|2,0,0]=4 854 B17R2.19054 CCOCCNc1ccnc2c1c(c[nH]2)Br 58e99c4c297d6959cff6d6331f8fcbc2 [0,1,1,0,0,0|2,0,0]=4 855 B17R2.19054 CCOCCNc1ccnc2c1c(c[nH]2)C dd5d4e4339b123c0de4b2eb80889e8c0 [0,1,1,0,0,0|2,0,0]=4 856 B17R2.19054 CCOCCNc1ccnc2c1c(c[nH]2)F 3e48803b41d5116028793471bd27cb89 [0,1,1,0,0,0|2,0,0]=4 857 B17R2.19054 CCOCCNc1nccc2c1c(c[nH]2)Br def5573609035ced03019c3869fbdf96 [0,1,1,0,0,0|2,0,0]=4 858 B17R2.19054 CCOCCNc1ncnc2c1c(c[nH]2)Br 6552e8d89834c77c024927f2fc9d6540 [0,1,1,0,0,0|1,0,0]=3 859 B17R2.19054 CCOCCNc1ncnc2c1c(c[nH]2)C 522bbf0685d664e536df5eeaeda59d67 [0,1,1,0,0,0|1,0,0]=3 860 B17R2.19054 CCOCCNc1ncnc2c1c(c[nH]2)Cl f89ba55efec706dc5ea91adb5d0b932c [0,1,1,0,0,0|1,0,0]=3 861 B17R2.19054 CCOCCNc1ncnc2c1c(c[nH]2)F 9eb85fdc5875c220f569f3a215246a25 [0,1,1,0,0,0|1,0,0]=3 862 B17R2.19054 CCOCCNc1ncnc2c1c(c[nH]2)I 7fbd0c5c6a86dd4e1af7fa75345cc433 [0,1,1,0,0,0|1,0,0]=3 863 B17R2.19054 CCOCCNc1ncnc2c1c(co2)C 3bab0add61d24d71dbd5ae96bd5e2471 [0,1,1,0,0,0|2,0,0]=4 864 B17R2.19054 CCOCCNc1ncnc2c1c(cs2)Br 285cf74329fe606ab98e09e89f33b84c [0,1,1,0,0,0|2,0,0]=4 865 B17R2.19054 CCOCCNc1ncnc2c1c(cs2)C cefe5bb0d92a44bf61f158d81d7d91f8 [0,1,1,0,0,0|2,0,0]=4 866 B17R2.19054 CCOCCNc1ncnc2c1c(n[nH]2)Br f51e07cdfa1e8cc755d606cc8ce482cb [0,1,1,0,0,0|2,0,0]=4 867 B17R2.19054 CCOCCNc1ncnc2c1c(n[nH]2)C fd701bb068b6d81d03ac71d411c3ff2a [0,1,1,0,0,0|2,0,0]=4 868 B17R2.19054 CCOCCNc1ncnc2c1c(n[nH]2)Cl b97106a49b1f5d17528018266ff444ea [0,1,1,0,0,0|2,0,0]=4 869 B17R2.19054 CCOCCNc1ncnc2c1c(n[nH]2)I f757b38f07ef028558fb05f7fc6630ec [0,1,1,0,0,0|2,0,0]=4 870 B17R2.19054 CCOCCNc1ncnc2c1n(cc2)C ab50f4c327acf47abde24121bd03044f [0,1,1,0,0,0|1,0,1]=4 871 B17R2.19054 CCOCCNc1ncnc2c1n(cn2)C c00e32a484f30f49226f51e8c9cf7025 [0,1,1,0,0,0|0,0,2]=4 872 B17R2.19054 CCOCCOc1ncnc2c1c(c[nH]2)Cl 1211946775449f89583dff4aa1dcacc3 [0,1,1,0,0,0|2,0,0]=4 873 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)Br e659202d51dd4588eb8db0cf7dea0a89 [0,1,1,0,0,0|1,1,0]=4 874 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)C a27b9d5504c0e3f794be95312fa8ab47 [0,1,1,0,0,0|1,1,0]=4 875 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)Cl 0daf98513b157ba5ca660b0c4819e4f2 [0,1,1,0,0,0|1,1,0]=4 876 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)F 0a60b12fdfad2dcf137ee222bf69a10a [0,1,1,0,0,0|1,1,0]=4 877 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)I dc4ae85bc4614823d14875494a3eb1dc [0,1,1,0,0,0|1,1,0]=4 878 B17R2.44757 C=C(C)CCCNc1ncnc2c1nc[nH]2 557336a6c099a6e4c2097d7073224410 [0,1,1,0,0,0|1,0,1]=4 879 B17R2.44757 CC(=CCCNc1ncnc2c1nc[nH]2)C 4daef4bfca298d4c2dde0f2555a4d990 [0,1,1,0,0,0|1,0,1]=4 880 B17R2.44757 CC(=O)CCCNc1ncnc2c1nc[nH]2 d75e8268b6722e4243c966ce236830cd [0,1,1,0,0,0|1,0,1]=4 881 B17R2.44757 CC(=O)NCCNc1ncnc2c1nc[nH]2 f982a4160cb2ebfef2e5b2f380cc1cee [0,1,1,0,0,0|1,0,1]=4 882 B17R2.44757 CC(=O)OCCNc1ccnc2c1nc[nH]2 76489f2b1693ee915b4650f6568c94e7 [0,1,1,0,0,0|1,0,1]=4 883 B17R2.44757 CC(=O)OCCNc1ncnc2c1cc[nH]2 0bdfffbd803e0cacb1fe5914ea5663dc [0,1,1,0,0,0|1,0,1]=4 884 B17R2.44757 CC(=O)OCCNc1ncnc2c1nc[nH]2 ab7c59fce513dceed8d5c447459ce298 [0,1,1,0,0,0|0,0,1]=3 885 B17R2.44757 CC(=O)OCCNc1ncnc2c1ncs2 3393f253c1ec8ad49cc84af3582a3a4f [0,1,1,0,0,0|1,0,1]=4 886 B17R2.44757 CC(=O)OCCNc1ncnc2c1nn[nH]2 2072180e5268f07949b3eb29fc53a2a3 [0,1,1,0,0,0|1,0,1]=4 887 B17R2.44757 CC(=O)SCCNc1ncnc2c1nc[nH]2 55977c14db675fcb6509425d2a8252c4 [0,1,1,0,0,0|0,1,1]=4 888 B17R2.44757 CC(C)/C=C/CNc1ncnc2c1nc[nH]2 314e6a49a20c950f6b911f4cc3b46b60 [0,1,1,0,0,0|1,0,1]=4 889 B17R2.44757 CC(C)CCCNc1ccnc2c1nc[nH]2 0f17519e182d82d0d27b625b8833a281 [0,1,1,0,0,0|2,0,0]=4 890 B17R2.44757 CC(C)CCCNc1ncnc2c1cc[nH]2 ec13388f7be6d8deed41d5284e992983 [0,1,1,0,0,0|2,0,0]=4 891 B17R2.44757 CC(C)CCCNc1ncnc2c1nc[nH]2 52a95f9bd7ae884deeff038253a5fefa [0,1,1,0,0,0|1,0,0]=3 892 B17R2.44757 CC(C)CCCNc1ncnc2c1ncs2 2bb124d80987d595a9fdfab3dfdebe1f [0,1,1,0,0,0|2,0,0]=4 893 B17R2.44757 CC(C)CCCNc1ncnc2c1nn[nH]2 d99c68706557141e32ba69de9f2dd398 [0,1,1,0,0,0|2,0,0]=4 894 B17R2.44757 CC(C)OCCNc1cccc2c1nc[nH]2 3eaf80956565f3c25fc2c3684a428e8c [0,1,1,0,0,0|2,0,0]=4 895 B17R2.44757 CC(C)OCCNc1ccnc2c1cc[nH]2 c24804e623147a891a59d8ee6293a98b [0,1,1,0,0,0|2,0,0]=4 896 B17R2.44757 CC(C)OCCNc1ccnc2c1nc[nH]2 2d1d03e45feb965bf8db98f4c5f35488 [0,1,1,0,0,0|1,0,0]=3 897 B17R2.44757 CC(C)OCCNc1ccnc2c1nn[nH]2 d8513407f65f23c3377002d11f8057c5 [0,1,1,0,0,0|2,0,0]=4 898 B17R2.44757 CC(C)OCCNc1nc[nH]c-2ccnc12 a006938b7a2dda3132c781bea39cd0f6 [0,1,1,0,0,0|1,0,1]=4 899 B17R2.44757 CC(C)OCCNc1nccc2c1cc[nH]2 e11fe72101cd3956bf97fa902d6608c1 [0,1,1,0,0,0|2,0,0]=4 900 B17R2.44757 CC(C)OCCNc1nccc2c1nco2 58ccbbba9f01ae52c6aebdf459eaa909 [0,1,1,0,0,0|2,0,0]=4 901 B17R2.44757 CC(C)OCCNc1nccc2c1ncs2 1be428aa5f6aab6a769f1cb2c7388838 [0,1,1,0,0,0|2,0,0]=4 902 B17R2.44757 CC(C)OCCNc1ncnc2c1CCN2 6ba94c97b60bd649764e0debe5c7232e [0,1,1,0,0,0|1,0,1]=4 903 B17R2.44757 CC(C)OCCNc1ncnc2c1[nH]cc2 214f46985575b1bdc5c2c862ccf53dbc [0,1,1,0,0,0|1,0,1]=4 904 B17R2.44757 CC(C)OCCNc1ncnc2c1cc[nH]2 b11071b69720096d05f7bffd78023b4c [0,1,1,0,0,0|1,0,0]=3 905 B17R2.44757 CC(C)OCCNc1ncnc2c1cco2 adcae27869ed8b9f1c80c9b61cc7f321 [0,1,1,0,0,0|2,0,0]=4 906 B17R2.44757 CC(C)OCCNc1ncnc2c1ccs2 1f6cf8fc6d20a99d781b7117c23b4f43 [0,1,1,0,0,0|2,0,0]=4 907 B17R2.44757 CC(C)OCCNc1ncnc2c1cn[nH]2 c242df0604e1bc0ba7ff1085d4eb2e6f [0,1,1,0,0,0|2,0,0]=4 908 B17R2.44757 CC(C)OCCNc1ncnc2c1nc[nH]2 33b3f2e5f0aa7310c5da04c01563a1dd [0,1,1,0,0,0|0,0,0]=2 909 B17R2.44757 CC(C)OCCNc1ncnc2c1ncs2 23747959e19833d33bd102ea6dd8c59c [0,1,1,0,0,0|1,0,0]=3 910 B17R2.44757 CC(C)OCCNc1ncnc2c1nn[nH]2 ee6949488c573d16b09dfaeab36591fb [0,1,1,0,0,0|1,0,0]=3 911 B17R2.44757 CC(C)OCCNc1ncnc2c1scc2 b16294716fa19b2300b6b169bb59a3a3 [0,1,1,0,0,0|2,0,0]=4 912 B17R2.44757 CC(C)OCCNc1ncnc2n1ncn2 35daa780095faaaf863aa773971213e6 [0,1,1,0,0,0|1,0,1]=4 913 B17R2.44757 CC(C)OCCNc1ncnn2c1ncc2 9caa8bb6b918c2d135f2e7fb70cef2ae [0,1,1,0,0,0|2,0,0]=4 914 B17R2.44757 CC(C)OCCOc1ncnc2c1cc[nH]2 376a82ed74979a7d5fa40437118cf496 [0,1,1,0,0,0|2,0,0]=4 915 B17R2.44757 CC(C)OCCOc1ncnc2c1ncs2 305992c30f8052afde08450d6e356079 [0,1,1,0,0,0|2,0,0]=4 916 B17R2.44757 CC(C)SCCNc1ccnc2c1nc[nH]2 b68d806ccf3b07d58c1e9cdfeb20f909 [0,1,1,0,0,0|1,1,0]=4 917 B17R2.44757 CC(C)SCCNc1ncnc2c1cc[nH]2 64c7cb39d3c20606d0df099493c2190a [0,1,1,0,0,0|1,1,0]=4 918 B17R2.44757 CC(C)SCCNc1ncnc2c1nc[nH]2 15051f74ba10eadabe54dedfce77064f [0,1,1,0,0,0|0,1,0]=3 919 B17R2.44757 CC(C)SCCNc1ncnc2c1ncs2 e54500e7114135e6c99d8b5d58fd59ff [0,1,1,0,0,0|1,1,0]=4 920 B17R2.44757 CC(C)SCCNc1ncnc2c1nn[nH]2 a8a71998ddba3c85740094246ddff966 [0,1,1,0,0,0|1,1,0]=4 921 B17R2.44757 CC(O)CCCNc1ccnc2c1nc[nH]2 fcb7f988260ace4af642b5834188963f [0,1,1,0,0,0|2,0,0]=4 922 B17R2.44757 CC(O)CCCNc1ncnc2c1cc[nH]2 9d960f1d6e289bc52a8e0117462e5e2c [0,1,1,0,0,0|2,0,0]=4 923 B17R2.44757 CC(O)CCCNc1ncnc2c1nc[nH]2 9a27e077b9b9211944371196b774c193 [0,1,1,0,0,0|1,0,0]=3 924 B17R2.44757 CC(O)CCCNc1ncnc2c1ncs2 52e1ff5c6f3f6d9bc64c870bbe3736a6 [0,1,1,0,0,0|2,0,0]=4 925 B17R2.44757 CC(O)CCCNc1ncnc2c1nn[nH]2 b1ea716a037b9e0ad52a1f6d378a1bbf [0,1,1,0,0,0|2,0,0]=4 926 B17R2.44757 CN(C)CCCNc1ncnc2c1nc[nH]2 382214bf47424cf0542d080b3cf3324b [0,1,1,0,0,0|2,0,0]=4 927 B17R2.44757 FC(F)OCCNc1ccnc2c1nc[nH]2 7b392f78b8515c28cc38d39bd997c076 [0,1,1,0,0,0|2,0,0]=4 928 B17R2.44757 FC(F)OCCNc1ncnc2c1cc[nH]2 d8e0b27fc34c841045339d1c10811d02 [0,1,1,0,0,0|2,0,0]=4 929 B17R2.44757 FC(F)OCCNc1ncnc2c1nc[nH]2 af01fb0f81728fc5b5f5ea0abcbd0e0b [0,1,1,0,0,0|1,0,0]=3 930 B17R2.44757 FC(F)OCCNc1ncnc2c1ncs2 35ff43d1e0f67d57bf833e68d5c89a59 [0,1,1,0,0,0|2,0,0]=4 931 B17R2.44757 FC(F)OCCNc1ncnc2c1nn[nH]2 07d8e164a0e36ec656db0e8c3051513a [0,1,1,0,0,0|2,0,0]=4 932 B17R2.45754 CCOCCNc1c(ccc2c1nc[nH]2)F 26222fb1c3bae24d52d43ead05f7b536 [0,1,1,0,0,0|2,0,0]=4 933 B17R2.45754 CCOCCNc1c(cnc2c1cc[nH]2)Br 7868170bb28707fd88fcdb1d49d08d9f [0,1,1,0,0,0|2,0,0]=4 934 B17R2.45754 CCOCCNc1c(cnc2c1cc[nH]2)C abef5f9ed4a694b1c23e83b56f41e631 [0,1,1,0,0,0|2,0,0]=4 935 B17R2.45754 CCOCCNc1c(cnc2c1cc[nH]2)Cl 746ed8b137307da9bea23e6c1ac488b1 [0,1,1,0,0,0|2,0,0]=4 936 B17R2.45754 CCOCCNc1c(cnc2c1cc[nH]2)F 8a7559c126e8a0f8acdc5aba29fa1dee [0,1,1,0,0,0|2,0,0]=4 937 B17R2.45754 CCOCCNc1c-2ncnc2ncn1C 270155698546f4596545ff4a69a803a3 [0,1,1,0,0,0|0,0,2]=4 938 B17R2.46852 CCCCCNc1ncc(c2c1nc[nH]2)Br c016a7561c92565636e50529149b9e02 [0,1,1,0,0,0|2,0,0]=4 939 B17R2.46852 CCCCCNc1ncc(c2c1nc[nH]2)C 1a350ee7b382e075f5640dad0c313011 [0,1,1,0,0,0|2,0,0]=4 940 B17R2.46852 CCCCCNc1ncc(c2c1nc[nH]2)Cl 83dfd40aedeffd856d2e780bc0855b94 [0,1,1,0,0,0|2,0,0]=4 941 B17R2.46852 CCCCCNc1ncc(c2c1nc[nH]2)F 04fec2b2ac784f51ca99597aff744f99 [0,1,1,0,0,0|2,0,0]=4 942 B17R2.46852 CCOCCNc1ncc(c2c1cc[nH]2)C 69223aa09af661a4cecf9390eac122dc [0,1,1,0,0,0|2,0,0]=4 943 B17R2.46852 CCOCCNc1ncc(c2c1cc[nH]2)F 43f5dd42f9a589e5d95d4efe4c21cea8 [0,1,1,0,0,0|2,0,0]=4 944 B17R2.46852 CCOCCNc1ncc(c2c1nc[nH]2)Br bc58a8075c7cab288608d2c958d9695f [0,1,1,0,0,0|1,0,0]=3 945 B17R2.46852 CCOCCNc1ncc(c2c1nc[nH]2)C 7ca0cabd6190f8ccf40459f3e0589238 [0,1,1,0,0,0|1,0,0]=3 946 B17R2.46852 CCOCCNc1ncc(c2c1nc[nH]2)Cl 778413306fc44be0eb169484228de171 [0,1,1,0,0,0|1,0,0]=3 947 B17R2.46852 CCOCCNc1ncc(c2c1nc[nH]2)F 5dbd81c84d38cbe76a59c80d31f6e2c4 [0,1,1,0,0,0|1,0,0]=3 948 B17R2.46852 CCOCCNc1ncn(c-2ncnc12)C ce41dccd672b8f5e5e9bad3adc73648a [0,1,1,0,0,0|0,0,2]=4 949 B17R2.46852 CCSCCNc1ncc(c2c1nc[nH]2)Br 380de750a9fb4a3f0b627382c2529cf8 [0,1,1,0,0,0|1,1,0]=4 950 B17R2.46852 CCSCCNc1ncc(c2c1nc[nH]2)C e96bc7f4ae9d2d0cdca20e90cab73c74 [0,1,1,0,0,0|1,1,0]=4 951 B17R2.46852 CCSCCNc1ncc(c2c1nc[nH]2)Cl 0882e1c3a70109b60c34794da8a00618 [0,1,1,0,0,0|1,1,0]=4 952 B17R2.46852 CCSCCNc1ncc(c2c1nc[nH]2)F d23cdbf623bf46ae0db2be97d700671c [0,1,1,0,0,0|1,1,0]=4 953 B17R2.46861 C=COCCNc1nc(nc2c1nc[nH]2)F 429e67790c3140e99c50b49b441a9a9b [0,1,1,0,0,0|0,0,2]=4 954 B17R2.46861 CC/C=C/CNc1nc(nc2c1nc[nH]2)Cl 482b259b5c4509630d8371d8cb76af34 [0,1,1,0,0,0|1,0,1]=4 955 B17R2.46861 CC/C=C/CNc1nc(nc2c1nc[nH]2)F acbd19eb6fa95dc2f5f47123262327f6 [0,1,1,0,0,0|1,0,1]=4 956 B17R2.46861 CCCCCNc1cc(nc2c1nc[nH]2)C 640e382e2c7c1e382a1e6d1e966f4f22 [0,1,1,0,0,0|2,0,0]=4 957 B17R2.46861 CCCCCNc1nc(cc2c1nc[nH]2)C 36c33cf917709deb840c60bb28e26ff7 [0,1,1,0,0,0|2,0,0]=4 958 B17R2.46861 CCCCCNc1nc(nc2c1cc[nH]2)Cl ec8638c29db93aea7a92434d079b1f1b [0,1,1,0,0,0|2,0,0]=4 959 B17R2.46861 CCCCCNc1nc(nc2c1cc[nH]2)F 1702756e4fd76638486c1eee4eaf23a8 [0,1,1,0,0,0|2,0,0]=4 960 B17R2.46861 CCCCCNc1nc(nc2c1cc[nH]2)S a3b69ff7fbca87a10110171c37e22c40 [0,1,1,0,0,0|2,0,0]=4 961 B17R2.46861 CCCCCNc1nc(nc2c1nc[nH]2)Cl dbb6b07c129882ae4e7cec843f68c40a [0,1,1,0,0,0|1,0,0]=3 962 B17R2.46861 CCCCCNc1nc(nc2c1nc[nH]2)F 3efb0627206570daee4a597fdc08d58d [0,1,1,0,0,0|1,0,0]=3 963 B17R2.46861 CCCCCOc1nc(nc2c1nc[nH]2)S d076b994d8fd372adc3704939b119444 [0,1,1,0,0,0|2,0,0]=4 964 B17R2.46861 CCOCCNc1[nH]c(nc-2ncnc12)C 37ac35c0db61d13e7b460c0ac46a73d4 [0,1,1,0,0,0|0,0,2]=4 965 B17R2.46861 CCOCCNc1cc(cc2c1nc[nH]2)Br a42d9eab689394401c845cc5f7598fad [0,1,1,0,0,0|2,0,0]=4 966 B17R2.46861 CCOCCNc1cc(nc2c1cc[nH]2)C 031406e0b653d662b28457a3fe31ee4a [0,1,1,0,0,0|2,0,0]=4 967 B17R2.46861 CCOCCNc1cc(nc2c1cc[nH]2)Cl 76c89fc32d283ccea04674a41ad966ad [0,1,1,0,0,0|2,0,0]=4 968 B17R2.46861 CCOCCNc1cc(nc2c1cc[nH]2)F c72683c7f7175df74a915f0dc4ceddb5 [0,1,1,0,0,0|2,0,0]=4 969 B17R2.46861 CCOCCNc1cc(nc2c1cc[nH]2)O abdeabfc34eeb476759f749bbf60c7c7 [0,1,1,0,0,0|2,0,0]=4 970 B17R2.46861 CCOCCNc1cc(nc2c1nc[nH]2)C 506453cc18154ef5c24b7bc7d9687e08 [0,1,1,0,0,0|1,0,0]=3 971 B17R2.46861 CCOCCNc1nc(cc2c1cc[nH]2)C 1daf74c8d5d6f737ed4bd65ee08f70dc [0,1,1,0,0,0|2,0,0]=4 972 B17R2.46861 CCOCCNc1nc(cc2c1nc[nH]2)C 4c7cb2e0cc308b5d973efd458aa761b1 [0,1,1,0,0,0|1,0,0]=3 973 B17R2.46861 CCOCCNc1nc(cc2c1ncs2)C 19e8bbed76c5e68b72c9fc64f840bebd [0,1,1,0,0,0|2,0,0]=4 974 B17R2.46861 CCOCCNc1nc(nc2c1[nH]cc2)C 934d5e14451010548a34df9b9cba61ed [0,1,1,0,0,0|1,0,1]=4 975 B17R2.46861 CCOCCNc1nc(nc2c1cc[nH]2)C 675a43aaac2d3e85714a5f4e6bf9afda [0,1,1,0,0,0|1,0,0]=3 976 B17R2.46861 CCOCCNc1nc(nc2c1cc[nH]2)Cl 3bfcf63119bb7b1f6d70ea3bb034f22c [0,1,1,0,0,0|1,0,0]=3 977 B17R2.46861 CCOCCNc1nc(nc2c1cc[nH]2)F ce746790f41cbd70ef52732112b1a7f1 [0,1,1,0,0,0|1,0,0]=3 978 B17R2.46861 CCOCCNc1nc(nc2c1cc[nH]2)S cf42acb6f94ad34b3b6d0a65b5b9e1bd [0,1,1,0,0,0|1,0,0]=3 979 B17R2.46861 CCOCCNc1nc(nc2c1ccs2)C 9f843b0d4270f5a384fe59a8def1e1e2 [0,1,1,0,0,0|2,0,0]=4 980 B17R2.46861 CCOCCNc1nc(nc2c1ccs2)Cl 373d50b5140e340d7991f1ede5de694a [0,1,1,0,0,0|2,0,0]=4 981 B17R2.46861 CCOCCNc1nc(nc2c1cn[nH]2)C 1b4eb931942d3cb781ed433cb1f3d074 [0,1,1,0,0,0|2,0,0]=4 982 B17R2.46861 CCOCCNc1nc(nc2c1cn[nH]2)Cl 4befe9375e54500ff032021333f5f8bb [0,1,1,0,0,0|2,0,0]=4 983 B17R2.46861 CCOCCNc1nc(nc2c1nc[nH]2)Cl 9c36e7c8a15beb2f8edafc471f5b064a [0,1,1,0,0,0|0,0,0]=2 984 B17R2.46861 CCOCCNc1nc(nc2c1nc[nH]2)F a908039e4d136b0967e8871be259fb46 [0,1,1,0,0,0|0,0,0]=2 985 B17R2.46861 CCOCCNc1nc(nc2c1ncs2)C cdc64ef75e0e68a9ddc642f1a5ceed7a [0,1,1,0,0,0|1,0,0]=3 986 B17R2.46861 CCOCCNc1nc(nc2c1occ2)C 66c58572ddfb254513b0e82cf20071f3 [0,1,1,0,0,0|2,0,0]=4 987 B17R2.46861 CCOCCNc1nc(nc2c1scc2)C 5eb2fe6adaf7e68f0094e412a19fb93b [0,1,1,0,0,0|2,0,0]=4 988 B17R2.46861 CCOCCNc1nc(nc2c1scc2)Cl a7e7052569e6e533e02b88e19f2f5a06 [0,1,1,0,0,0|2,0,0]=4 989 B17R2.46861 CCOCCOc1nc(nc2c1nc[nH]2)S efcea97cffd1a5be562c33ca993e5253 [0,1,1,0,0,0|1,0,0]=3 990 B17R2.46861 CCSCCNc1cc(nc2c1nc[nH]2)C ee0f3ae42495b6aed305483cd4f9afb2 [0,1,1,0,0,0|1,1,0]=4 991 B17R2.46861 CCSCCNc1nc(cc2c1nc[nH]2)C 52c23a1cc9bc2275e47556db581d129e [0,1,1,0,0,0|1,1,0]=4 992 B17R2.46861 CCSCCNc1nc(nc2c1cc[nH]2)Cl 9b7ea29c1352c44eecc7786c1a08bbff [0,1,1,0,0,0|1,1,0]=4 993 B17R2.46861 CCSCCNc1nc(nc2c1cc[nH]2)S 51af5c2dc36f4e5de6c60ccd948e6af1 [0,1,1,0,0,0|1,1,0]=4 994 B17R2.46861 CCSCCNc1nc(nc2c1nc[nH]2)Cl 425605d14b57e925c313b0523db65733 [0,1,1,0,0,0|0,1,0]=3 995 B17R2.46861 CCSCCNc1nc(nc2c1nc[nH]2)F cde6b177f4a536b57e0a85afb4557a36 [0,1,1,0,0,0|0,1,0]=3 996 B17R2.46861 COCCCNc1nc(nc2c1nc[nH]2)Cl 09bc5f676534e269171518284bff6438 [0,1,1,0,0,0|2,0,0]=4 997 B17R2.46861 COCCCNc1nc(nc2c1nc[nH]2)F 5006cbe0f6adcc369f985ee2d4595cb6 [0,1,1,0,0,0|2,0,0]=4 998 B17R2.46861 CSCCCNc1nc(nc2c1nc[nH]2)Cl fb999c47bdefe12e1b794a60f9c5bacc [0,1,1,0,0,0|2,0,0]=4 999 B17R2.46861 CSCCCNc1nc(nc2c1nc[nH]2)F 2c12a9ffb05d1924eb1f63ab383b52e1 [0,1,1,0,0,0|2,0,0]=4 1000 B17R2.46861 FCCCCNc1nc(nc2c1nc[nH]2)Cl 3b8dfe2709946be366acff90e494ef8c [0,1,1,0,0,0|2,0,0]=4 1001 B17R2.46861 FCCCCNc1nc(nc2c1nc[nH]2)F 4799e386b3e03b4f93b628c0264c6de4 [0,1,1,0,0,0|2,0,0]=4 1002 B17R2.46861 OCCCCNc1nc(nc2c1nc[nH]2)Cl 782a432f6d81d50921393934eaf4e610 [0,1,1,0,0,0|2,0,0]=4 1003 B17R2.46861 OCCCCNc1nc(nc2c1nc[nH]2)F f8a7b6f4f3301d5d3d273b093caf5cfb [0,1,1,0,0,0|2,0,0]=4 1004 B17R2.60842 CCC(C)CCNc1ccnc2c1nc[nH]2 b82581c2a6f6a564ab2239db97cd5755 [0,1,1,0,0,0|2,0,0]=4 1005 B17R2.60842 CCC(C)CCNc1ncnc2c1cc[nH]2 d480361255211902df667f247a962dc1 [0,1,1,0,0,0|2,0,0]=4 1006 B17R2.60842 CCC(C)CCNc1ncnc2c1nc[nH]2 292d45a76603e41f12906b047cecaf20 [0,1,1,0,0,0|1,0,0]=3 1007 B17R2.60842 CCC(C)CCNc1ncnc2c1ncs2 da72a9535c6063762e78d009c6f58a3f [0,1,1,0,0,0|2,0,0]=4 1008 B17R2.60842 CCC(C)CCNc1ncnc2c1nn[nH]2 46bfb751d47d626afdfcd0ec8069ac48 [0,1,1,0,0,0|2,0,0]=4 1009 B17R2.60842 CCS(=O)CCNc1ccnc2c1nc[nH]2 6083794261e9c1cdd8de1893d7ba6aec [0,1,1,0,0,0|1,1,0]=4 1010 B17R2.60842 CCS(=O)CCNc1ncnc2c1cc[nH]2 e8473fb443d50f4cedc03ec0403aa867 [0,1,1,0,0,0|1,1,0]=4 1011 B17R2.60842 CCS(=O)CCNc1ncnc2c1nc[nH]2 40f56788c65a07740a3fd59465d488df [0,1,1,0,0,0|0,1,0]=3 1012 B17R2.60842 CCS(=O)CCNc1ncnc2c1ncs2 130308579d0875b9bb6bfda20649e146 [0,1,1,0,0,0|1,1,0]=4 1013 B17R2.60842 CCS(=O)CCNc1ncnc2c1nn[nH]2 b7cca39feef14313fdbf9290aa7890ac [0,1,1,0,0,0|1,1,0]=4 1014 B17R2.60842 CNC(=O)CCNc1ncnc2c1nc[nH]2 719b5ff19a01bde2cd93e07c005a7db8 [0,1,1,0,0,0|2,0,0]=4 1015 B17R2.60842 COC(=O)CCNc1ncnc2c1nc[nH]2 5bca93333654f8edbae5b4e2818ae761 [0,1,1,0,0,0|2,0,0]=4 1016 B17R2.74423 CCCCC(C)Nc1ccnc2c1nc[nH]2 e127bf52655456787a16b8aa0c43a1a5 [0,1,1,0,0,0|2,0,0]=4 1017 B17R2.74423 CCCCC(C)Nc1ncnc2c1cc[nH]2 706e8a77fb0f2d33e9c56bfa1b4b8348 [0,1,1,0,0,0|2,0,0]=4 1018 B17R2.74423 CCCCC(C)Nc1ncnc2c1nc[nH]2 ce74050c4642c86598d2bbd753ee3107 [0,1,1,0,0,0|1,0,0]=3 1019 B17R2.74423 CCCCC(C)Nc1ncnc2c1ncs2 be239a1ec7ae10dcb8aefbdb26ff904d [0,1,1,0,0,0|2,0,0]=4 1020 B17R2.74423 CCCCC(C)Nc1ncnc2c1nn[nH]2 f093c8b9339d678c7518ba1ccd824e6a [0,1,1,0,0,0|2,0,0]=4 1021 B17R2.74423 CCOCC(=O)Nc1ncnc2c1ncs2 79d1e04c0588e00c211aedbfb28488ea [0,1,1,0,0,0|1,0,1]=4 1022 B17R2.74946 CCCC(=O)CNc1ncnc2c1nc[nH]2 8585de966c90e3d4c179c45d6297327f [0,1,1,0,0,0|1,0,1]=4 1023 B17R2.74946 CCCC(C)CNc1ccnc2c1nc[nH]2 3eb9b3134115ddd444a09092440de300 [0,1,1,0,0,0|2,0,0]=4 1024 B17R2.74946 CCCC(C)CNc1ncnc2c1ncs2 1bcec8d310034a06f902c6226767b6cf [0,1,1,0,0,0|2,0,0]=4 1025 B17R2.74946 CCCC(C)CNc1ncnc2c1nn[nH]2 9cc6d0865212adeafff6fdb41b12b08e [0,1,1,0,0,0|2,0,0]=4 1026 B17R2.74946 CCNC(=O)CNc1ncnc2c1nc[nH]2 a90d8c2e5eec8df2037453cee24f2b52 [0,1,1,0,0,0|1,0,1]=4 1027 B17R2.74946 CCOC(=O)CNc1ccnc2c1nc[nH]2 77d72adeb03fb43d57e2b24ccff21a86 [0,1,1,0,0,0|1,0,1]=4 1028 B17R2.74946 CCOC(=O)CNc1ncnc2c1cc[nH]2 9ab562320e5f2d147706b7101811d2d0 [0,1,1,0,0,0|1,0,1]=4 1029 B17R2.74946 CCOC(=O)CNc1ncnc2c1nc[nH]2 4b4fd28e0976f7942a63c422f414e4f4 [0,1,1,0,0,0|0,0,1]=3 1030 B17R2.74946 CCOC(=O)CNc1ncnc2c1ncs2 5c62ba525b268ef09e5e7dd526164a55 [0,1,1,0,0,0|1,0,1]=4 1031 B17R2.74946 CCOC(=O)CNc1ncnc2c1nn[nH]2 ba46496b1bfccfb76677d8551c468936 [0,1,1,0,0,0|1,0,1]=4 1032 B17R2.74946 CCOC(C)CNc1ccnc2c1cc[nH]2 8f7295b03eae2a4c0a641cb706b91970 [0,1,1,0,0,0|2,0,0]=4 1033 B17R2.74946 CCOC(C)CNc1ccnc2c1nc[nH]2 33d8bf14b7adaef677fce838296ce65f [0,1,1,0,0,0|1,0,0]=3 1034 B17R2.74946 CCOC(C)CNc1ccnc2c1nn[nH]2 0089cdf3f14c6d480fe1afea38320c68 [0,1,1,0,0,0|2,0,0]=4 1035 B17R2.74946 CCOC(C)CNc1nccc2c1cc[nH]2 6513ab03742f975d57aac0d4d673d5cb [0,1,1,0,0,0|2,0,0]=4 1036 B17R2.74946 CCOC(C)CNc1nccc2c1nco2 bef965100b92b5da41e784326a2f4bad [0,1,1,0,0,0|2,0,0]=4 1037 B17R2.74946 CCOC(C)CNc1nccc2c1ncs2 e019af40f014ed3e6820d4c555ef9c8f [0,1,1,0,0,0|2,0,0]=4 1038 B17R2.74946 CCOC(C)CNc1ncnc2c1CCN2 b7134a2e7980011d3052749ff60f3d7c [0,1,1,0,0,0|1,0,1]=4 1039 B17R2.74946 CCOC(C)CNc1ncnn2c1ncc2 fe2aa35c248ae187b79b7d9f086c49b6 [0,1,1,0,0,0|2,0,0]=4 1040 B17R2.21752 CCCN(CC)c1ncnc2c1ccn2C bbd7f69534aec6f0221a4d8bb6ee6538 [0,1,1,0,0,0|2,0,0]=4 1041 B17R2.21752 CCCN(CC)c1ncnc2c1nnn2C f5bf22539683281837a8893b6ae4263b [0,1,1,0,0,0|2,0,0]=4 1042 B17R2.21752 CCN(CCCl)c1ncnc2c1ccn2C d6d16caadc5a9a1a79674f49fa654391 [0,1,1,0,0,0|2,0,0]=4 1043 B17R2.21752 CCN(CCCl)c1ncnc2c1nnn2C c2cc8e9c591770ad52b1706580046bec [0,1,1,0,0,0|2,0,0]=4 1044 B17R2.21752 CCN(CCO)c1nccc2c1ccn2C 668b47878d3e7a2de5eb6b2e0bcfb8ae [0,1,1,0,0,0|2,0,0]=4 1045 B17R2.21752 CCN(CCO)c1ncnc2c1ccn2C 15355649522d368ca263ad49e4a8b8b1 [0,1,1,0,0,0|1,0,0]=3 1046 B17R2.21752 CCN(CCO)c1ncnc2c1cnn2C ad9680081d20ba4970d504ec81ffa13d [0,1,1,0,0,0|2,0,0]=4 1047 B17R2.21752 CCN(CCO)c1ncnc2c1nnn2C cf7c74c08e9db7d8da71c54f46787e7c [0,1,1,0,0,0|1,0,0]=3 1048 B17R2.21752 Cn1ccc2c1ncnc2N(CO)CCO a00fadc9507b4429abf1875b4143f2f2 [0,1,1,0,0,0|2,0,0]=4 1049 B17R2.21752 Cn1nnc2c1ncnc2N(CO)CCO c8648f3a2f6463b5410aa845abdd1d7c [0,1,1,0,0,0|2,0,0]=4 1050 B17R2.21760 CCN(CCO)c1cccc2c1nc([nH]2)N 95073e519de58e34938287ea84f8b929 [0,1,1,0,0,0|2,0,0]=4 1051 B17R2.21760 CCN(CCO)c1ccnc2c1oc(=O)[nH]2 0147977089f69f33408f95151f7f6444 [0,1,1,0,0,0|2,0,0]=4 1052 B17R2.21760 CCN(CCO)c1ncnc2c1cc([nH]2)C 29c5e9220f93bd747df2276560f17aeb [0,1,1,0,0,0|1,0,0]=3 1053 B17R2.21760 CCN(CCO)c1ncnc2c1cc(o2)C db4cdc55ea0452024a5e989f4b0622fb [0,1,1,0,0,0|2,0,0]=4 1054 B17R2.21760 Cc1cc2c(ncnc2[nH]1)N(CO)CCO 0066662d1f6de52abddf180f127c99d7 [0,1,1,0,0,0|2,0,0]=4 1055 B17R2.21761 CCCN(CC)c1ncnc2c1c(c[nH]2)C 07540132f02288dd1963aa299ccd8329 [0,1,1,0,0,0|2,0,0]=4 1056 B17R2.21761 CCN(CCCl)c1ncnc2c1c(c[nH]2)C 1d4068907e8c0c2307e603fa2d3b4d9c [0,1,1,0,0,0|2,0,0]=4 1057 B17R2.21761 CCN(CCO)c1ncnc2c1c(c[nH]2)C f58ce1e8da6da5019e4d7902adeb19a4 [0,1,1,0,0,0|1,0,0]=3 1058 B17R2.21761 CCN(CCO)c1ncnc2c1c(cs2)C 7983e11cd2735ed4bea4183cc3287094 [0,1,1,0,0,0|2,0,0]=4 1059 B17R2.21761 CCN(CCO)c1ncnc2c1n(cc2)C d478a1bc77bd09bd569f9a698798da66 [0,1,1,0,0,0|1,0,1]=4 1060 B17R2.21761 CCN(CCO)c1ncnc2c1n(cn2)C 892667928c0c508d66c7f31499af463b [0,1,1,0,0,0|0,0,2]=4 1061 B17R2.21761 Cc1c[nH]c2c1c(ncn2)N(CO)CCO 81a519c9f53048ad34bb3d6879470d1a [0,1,1,0,0,0|2,0,0]=4 1062 B17R2.21785 CCN(CCO)c1ncc(c2c1cc[nH]2)F 7753b249ee05ec24acad22bde152be85 [0,1,1,0,0,0|2,0,0]=4 1063 B17R2.21794 OCCN(CO)c1nc(nc2c1cc[nH]2)F 2db686fe3e62a3527429d75e601b6bbd [0,1,1,0,0,0|2,0,0]=4 1064 B17R2.295633 C=C(Br)CN(CC)c1ncnc2c1nc[nH]2 48c52f673872ba0ab15acbbafbebe51e [0,1,1,0,0,0|1,0,1]=4 1065 B17R2.295633 CCN(CC(=O)N)c1ncnc2c1nc[nH]2 d13a1fdfb06addce30c70d85b85ca321 [0,1,1,0,0,0|0,0,2]=4 1066 B17R2.295633 CCN(CC(=O)O)c1ncnc2c1nc[nH]2 ae1752299be886c047017f11e93ea353 [0,1,1,0,0,0|0,0,1]=3 1067 B17R2.295633 CCN(CC(C)C)c1ncnc2c1cc[nH]2 da8b03bbd978c003241c0869e900faeb [0,1,1,0,0,0|2,0,0]=4 1068 B17R2.295633 CCN(CC(C)C)c1ncnc2c1nc[nH]2 7f2d800d75ae8cf509747c7ee3032625 [0,1,1,0,0,0|1,0,0]=3 1069 B17R2.295633 CCN(CC(C)C)c1ncnc2c1ncs2 3778aafba9a48d2833303c52020c0cef [0,1,1,0,0,0|2,0,0]=4 1070 B17R2.295633 CCN(CC(C)O)c1nccc2c1cc[nH]2 fc20e10145fb5925aec04d864e6de309 [0,1,1,0,0,0|2,0,0]=4 1071 B17R2.295633 CCN(CC(C)O)c1ncnc2c1CCN2 e57d58853cbcc487033ab12585ea279b [0,1,1,0,0,0|1,0,1]=4 1072 B17R2.295633 CCN(CC(C)O)c1ncnc2c1cc[nH]2 dee0e9557a976cc595745c4f7a6a11c0 [0,1,1,0,0,0|1,0,0]=3 1073 B17R2.295633 CCN(CC(C)O)c1ncnc2c1ccs2 b5a04f1163858c4fac40bfb8e6d2683f [0,1,1,0,0,0|2,0,0]=4 1074 B17R2.295633 CCN(CC(C)O)c1ncnc2c1nc[nH]2 8a2a010bb717b251226bf0a88595f026 [0,1,1,0,0,0|0,0,0]=2 1075 B17R2.295633 CCN(CC(C)O)c1ncnc2c1ncs2 3620c2a4a76ad93b9e4156de8ddab4f6 [0,1,1,0,0,0|1,0,0]=3 1076 B17R2.295633 CCN(CC(C)O)c1ncnc2c1scc2 978a59ebe3671c2e7440607b46226a57 [0,1,1,0,0,0|2,0,0]=4 1077 B17R2.295633 CCN(CC(F)F)c1ncnc2c1cc[nH]2 d5bd34bb595a07aef23e46737bd782e8 [0,1,1,0,0,0|2,0,0]=4 1078 B17R2.295633 CCN(CC(F)F)c1ncnc2c1nc[nH]2 8b1c614de692fea3ef7e386f6ce5fbc2 [0,1,1,0,0,0|1,0,0]=3 1079 B17R2.295633 CCN(CC(F)F)c1ncnc2c1ncs2 0970e87af54d885284e9d9575357cbd4 [0,1,1,0,0,0|2,0,0]=4 1080 B17R2.295633 CCN(CN(C)C)c1ncnc2c1nc[nH]2 98e90aaef77283fa28d392d32e62b286 [0,1,1,0,0,0|2,0,0]=4 1081 B17R2.295633 CCN(C[C@H](C)O)c1nccc2c1cc[nH]2 e8280a5e28d7328490c1c65057f9a56a [0,1,1,0,0,0|2,0,0]=4 1082 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1CCN2 2d5a87477d6d5c979e6ea7d68cf377ce [0,1,1,0,0,0|1,0,1]=4 1083 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1cc[nH]2 4c6faf8205984628db976073c82486cd [0,1,1,0,0,0|1,0,0]=3 1084 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1ccs2 583ed30e32e3aa096239a389c79ee8f9 [0,1,1,0,0,0|2,0,0]=4 1085 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1nc[nH]2 23ca91bca8a7f1ba0c933891baef7c63 [0,1,1,0,0,0|0,0,0]=2 1086 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1ncs2 7e072a75015fec1319bdfdac31378c31 [0,1,1,0,0,0|1,0,0]=3 1087 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1scc2 03c00a94c432c52c4c9d3ea13f501d12 [0,1,1,0,0,0|2,0,0]=4 1088 B17R2.295633 CCN(C[N+](=O)[O-])c1ncnc2c1nc[nH]2 99080322943c2dd657ca559cd097d589 [0,1,1,0,0,0|1,0,1]=4 1089 B17R2.301371 CC(C)N(CCO)c1ncnc2c1CCN2 b73ef7be19e331fcac3bf51915ca6803 [0,1,1,0,0,0|1,0,1]=4 1090 B17R2.312270 C=CCN(CCO)c1ccnc2c1nc[nH]2 1d2bda22d086a7b31118319e84dec29b [0,1,1,0,0,0|1,0,1]=4 1091 B17R2.312270 C=CCN(CCO)c1nccc2c1nc[nH]2 6857a23924fa4106c2f900ab489c3c4d [0,1,1,0,0,0|1,0,1]=4 1092 B17R2.312270 C=CCN(CCO)c1ncnc2c1cc[nH]2 7935aba527789b3f5e87056a59cc4f84 [0,1,1,0,0,0|1,0,1]=4 1093 B17R2.312270 C=CCN(CCO)c1ncnc2c1nc[nH]2 841b0a72ef8b8668d1721fc00767306e [0,1,1,0,0,0|0,0,1]=3 1094 B17R2.312270 C=CCN(CCO)c1ncnc2c1ncs2 c5d5039516d5fec70dec5250aac957a9 [0,1,1,0,0,0|1,0,1]=4 1095 B17R2.312270 C=CCN(CCO)c1ncnc2c1nn[nH]2 63ee5b80c98ed7e5560aeddaffd4310f [0,1,1,0,0,0|1,0,1]=4 1096 B17R2.312270 CCCN(CCO)c1ncnc2c1CCN2 f5b174a1276bf2492d3f0a9570bf20e0 [0,1,1,0,0,0|1,0,1]=4 1097 B17R2.312270 CCCN(CCO)c1ncnc2c1ccs2 aa38f01845fa28e9ab0b43866d7ce43e [0,1,1,0,0,0|2,0,0]=4 1098 B17R2.312270 CCCN(CCO)c1ncnc2c1ncs2 5757cd1fcd8cce3d95721558cda6ff72 [0,1,1,0,0,0|1,0,0]=3 1099 B17R2.312270 ClCCN(CCCl)c1ncnc2c1ncs2 d87d93cbd6df26f045893ac06205f380 [0,1,1,0,0,0|2,0,0]=4 1100 B17R2.312270 OCCN(CCO)c1ccnc2c1cc[nH]2 57503c283d880f1f0b9001df31273513 [0,1,1,0,0,0|2,0,0]=4 1101 B17R2.312270 OCCN(CCO)c1ncnc2c1CCN2 6f58d0977abe46e014836f833c283a9f [0,1,1,0,0,0|1,0,1]=4 1102 B17R2.312270 OCCN(CCO)c1ncnc2c1cc[nH]2 6b3b443a803fa7eaef9ae43cb8276ff1 [0,1,1,0,0,0|1,0,0]=3 1103 B17R2.312270 OCCN(CCO)c1ncnc2c1ccs2 23ce0259d9b298c835f8418f1f896818 [0,1,1,0,0,0|2,0,0]=4 1104 B17R2.312270 OCCN(CCO)c1ncnc2c1ncs2 78b4a4eae59dd8b4b488db87c8d335e9 [0,1,1,0,0,0|1,0,0]=3 1105 B17R2.312270 OCCN(CCO)c1ncnc2c1scc2 aa2ae12a68a061fa375d47dad15c1736 [0,1,1,0,0,0|2,0,0]=4 1106 B17R2.312270 OCCN(CCO)c1ncnn2c1ncc2 06195c2664ac41a42622501f027bbedc [0,1,1,0,0,0|2,0,0]=4 1107 B17R2.353839 C#CC(C)N(CC)c1ncnc2c1nc[nH]2 be27f335ecbf6854e9d9be36718af730 [0,1,1,0,0,0|1,0,1]=4 1108 B17R2.353839 C=CC(C)N(CC)c1ncnc2c1nc[nH]2 0c9441e643b24c967ea175453856d7aa [0,1,1,0,0,0|1,0,1]=4 1109 B17R2.353839 CCC(C)N(CC)c1ncnc2c1nc[nH]2 7181e6a12ce0ede75da51588c128d3db [0,1,1,0,0,0|1,0,0]=3 1110 B17R2.353839 CCN(c1ncnc2c1CCN2)C(C)CO 5dc3e9553c764d785f1eb5bdd2014586 [0,1,1,0,0,0|1,0,1]=4 1111 B17R2.353839 CCN(c1ncnc2c1[nH]cc2)C(C)CO dbf42f632e353bf83148092b5605fc66 [0,1,1,0,0,0|1,0,1]=4 1112 B17R2.353839 CCN(c1ncnc2c1cc[nH]2)C(C)CO 8b424f9536c88f234fbba99f0d96c0cd [0,1,1,0,0,0|1,0,0]=3 1113 B17R2.353839 CCN(c1ncnc2c1ccs2)C(C)CO c089769cdc86722539cb877b726af1eb [0,1,1,0,0,0|2,0,0]=4 1114 B17R2.353839 CCN(c1ncnc2c1nc[nH]2)C(C)C=O 899a5a9f12016bf497770f2c0863803f [0,1,1,0,0,0|0,0,2]=4 1115 B17R2.353839 CCN(c1ncnc2c1nc[nH]2)C(C)CO 1903e433cfb6465a31eae0bd7fdd2bb3 [0,1,1,0,0,0|0,0,0]=2 1116 B17R2.353839 CCN(c1ncnc2c1nc[nH]2)[C@@H](C)CO a8d0aa7b57f1c38037af5ab7353dc625 [0,1,1,0,0,0|0,0,0]=2 1117 B17R2.353839 CCN(c1ncnc2c1nc[nH]2)[C@H](C)C=O 25931fe4c187f0d13a4a970a1eaad264 [0,1,1,0,0,0|0,0,2]=4 1118 B17R2.353839 CCN(c1ncnc2c1nc[nH]2)[C@H](C)CO 226bbb97f994a13e41c0174fec25da6f [0,1,1,0,0,0|0,0,0]=2 1119 B17R2.353839 CCN(c1ncnc2c1ncs2)C(C)CO 1bc721e07e2e98b6c0c6b2846d9b38a0 [0,1,1,0,0,0|1,0,0]=3 1120 B17R2.353839 CCN(c1ncnc2c1scc2)C(C)CO 9bbaf7f8915dfab753c858e55b68092d [0,1,1,0,0,0|2,0,0]=4 1121 B17R2.353839 CCN(c1ncnn2c1ncc2)C(C)CO 9f6a0ae7794772abf5a4ddadd67c102d [0,1,1,0,0,0|2,0,0]=4 1122 B19R3.9 Cn1ccc2c1ncnc2NC3CCOCC3 c9afedd6cef0dd49cb75bc703833d680 [0,1,0,0,0,1|2,0,0]=4 1123 B19R3.9 Cn1cnc2c1ccnc2NC3CCOCC3 de798fa80dec0271ce930344705ebe20 [0,1,0,0,0,1|2,0,0]=4 1124 B19R3.9 Cn1cnc2c1ncnc2NC3CCOCC3 f931830669af0cfa04f3508bde30f330 [0,1,0,0,0,1|1,0,0]=3 1125 B19R3.9 Cn1nnc2c1ncnc2NC3CCOCC3 196854bd1a487ae1901dc7aacdbe7143 [0,1,0,0,0,1|2,0,0]=4 1126 B19R3.284 Fc1nc(c2cc[nH]c2n1)NC3CCOCC3 733cee4450209d6dd53b5ac86e5311f5 [0,1,0,0,0,1|2,0,0]=4 1127 B19R3.3952 CC1CC(CCO1)Nc2ccnc3c2nc[nH]3 5f136576aae5de7b552a476051a3d632 [0,1,0,0,0,1|2,0,0]=4 1128 B19R3.3952 CC1CC(CCO1)Nc2nccc3c2nc[nH]3 d4b550b98bea16e2d608ed793a02242c [0,1,0,0,0,1|2,0,0]=4 1129 B19R3.3952 CC1CC(CCO1)Nc2ncnc3c2ncs3 c6f7447f34870159dab6b65b28e0e67a [0,1,0,0,0,1|2,0,0]=4 1130 B19R3.3952 C[C@@H]1C[C@@H](CCO1)Nc2ccnc3c2nc[nH]3 ed33398ef004ae720f6f7ff191b4f07c [0,1,0,0,0,1|2,0,0]=4 1131 B19R3.3952 C[C@@H]1C[C@@H](CCO1)Nc2nccc3c2nc[nH]3 3ba7c227b305d296b90ba9e47eac69c4 [0,1,0,0,0,1|2,0,0]=4 1132 B19R3.3952 C[C@@H]1C[C@@H](CCO1)Nc2ncnc3c2ncs3 60090a4fc24bba123d99579fa0996deb [0,1,0,0,0,1|2,0,0]=4 1133 B19R3.3952 C[C@@H]1C[C@H](CCO1)Nc2ccnc3c2nc[nH]3 0792b89a6668eacb9d8088dded02eb6c [0,1,0,0,0,1|2,0,0]=4 1134 B19R3.3952 C[C@@H]1C[C@H](CCO1)Nc2nccc3c2nc[nH]3 9ab2d47a4c518a2dc2a598e96bd10b66 [0,1,0,0,0,1|2,0,0]=4 1135 B19R3.3952 C[C@@H]1C[C@H](CCO1)Nc2ncnc3c2ncs3 85805fd5f7c4288a1defccb2103e608b [0,1,0,0,0,1|2,0,0]=4 1136 B19R3.3952 C[C@H]1C[C@@H](CCO1)Nc2ccnc3c2nc[nH]3 707eccb5017e275e6253b9628c5ab039 [0,1,0,0,0,1|2,0,0]=4 1137 B19R3.3952 C[C@H]1C[C@@H](CCO1)Nc2nccc3c2nc[nH]3 ad57fa421080112e72774f2c66cbc7d5 [0,1,0,0,0,1|2,0,0]=4 1138 B19R3.3952 C[C@H]1C[C@@H](CCO1)Nc2ncnc3c2ncs3 45af3f8c7c67f6fef0969d21b94843b9 [0,1,0,0,0,1|2,0,0]=4 1139 B19R3.3952 C[C@H]1C[C@H](CCO1)Nc2ccnc3c2nc[nH]3 7028a7e50aa06cc2f4ece8f2b95aebdd [0,1,0,0,0,1|2,0,0]=4 1140 B19R3.3952 C[C@H]1C[C@H](CCO1)Nc2nccc3c2nc[nH]3 979c29f55e73a52938af6012644aac5b [0,1,0,0,0,1|2,0,0]=4 1141 B19R3.3952 C[C@H]1C[C@H](CCO1)Nc2ncnc3c2ncs3 542e341434ecf16b6520bb02180ce463 [0,1,0,0,0,1|2,0,0]=4 1142 B19R3.5502 C[C@@H]1CCCC[C@@H]1Nc2ncnc3c2nc[nH]3 559b685ddc0815dc2f63bd7724f1eb0f [0,1,0,0,0,1|2,0,0]=4 1143 B19R3.5502 FC1CCCCC1Nc2ncnc3c2nc[nH]3 252c40e9695ceda8697ec6527826dcf2 [0,1,0,0,0,1|2,0,0]=4 1144 B19R3.5502 F[C@@H]1COCC[C@H]1Nc2ccnc3c2nc[nH]3 8555c4643c03f9b30df0d5ae8f94547c [0,1,0,0,0,1|2,0,0]=4 1145 B19R3.5502 F[C@H]1COCC[C@@H]1Nc2ccnc3c2nc[nH]3 43e688b9d6938363b153fcb636a9ae3f [0,1,0,0,0,1|2,0,0]=4 1146 B19R3.5502 OC1CCCCC1Nc2ncnc3c2nc[nH]3 6bfa2e18234d02cfe8c1743dd6ce769d [0,1,0,0,0,1|2,0,0]=4 1147 B19R3.5502 OC1COCCC1Nc2ccnc3c2nc[nH]3 097bd270d3e3d9fb20cdcb76eecc528e [0,1,0,0,0,1|2,0,0]=4 1148 B19R3.5502 O[C@@H]1COCC[C@@H]1Nc2ccnc3c2nc[nH]3 f7f04a9b676b377394459f144546118f [0,1,0,0,0,1|2,0,0]=4 1149 B19R3.5502 O[C@@H]1COCC[C@H]1Nc2ccnc3c2nc[nH]3 c3fae8daa1ccc0163808eb0f3b11120d [0,1,0,0,0,1|2,0,0]=4 1150 B19R3.5502 O[C@H]1CCCC[C@@H]1Nc2ncnc3c2nc[nH]3 e7cc17cbfcf642e2196392a000c888de [0,1,0,0,0,1|2,0,0]=4 1151 B19R3.5502 O[C@H]1COCC[C@@H]1Nc2ccnc3c2nc[nH]3 91e1191a8da7ffacb3e827e04cd5e55a [0,1,0,0,0,1|2,0,0]=4 1152 B19R3.5502 O[C@H]1COCC[C@H]1Nc2ccnc3c2nc[nH]3 23e9a5d3d6fa643681db3037b33d2750 [0,1,0,0,0,1|2,0,0]=4 1153 B19R3.9011 Cc1cnc(c2c1[nH]cn2)NC3CCOCC3 b12f80b36bab6a5bd6e4ea582eacdcd7 [0,1,0,0,0,1|2,0,0]=4 1154 B19R3.9011 Clc1cnc(c2c1[nH]cn2)NC3CCOCC3 e2df7646f64f6da90d57ce6de38149f6 [0,1,0,0,0,1|2,0,0]=4 1155 B19R3.9011 Fc1cnc(c2c1[nH]cn2)NC3CCOCC3 158c28d6a1bc3e8bfc2e5b06e394b566 [0,1,0,0,0,1|2,0,0]=4 1156 B19R3.86278 Cc1c[nH]c2c1c(ncn2)NC3CCOCC3 11dc46f1ca8e3417f818ceb778dfa7f6 [0,1,0,0,0,1|2,0,0]=4 1157 B19R3.86278 Clc1c[nH]c2c1c(ncn2)OC3CCOCC3 5e6649cd96b87e8c48491d750c24c5c7 [0,1,0,0,0,1|2,0,0]=4 1158 B19R3.86278 Fc1c[nH]c2c1c(ncn2)NC3CCOCC3 3f0a406b7603c3632ec307db8397c9cb [0,1,0,0,0,1|2,0,0]=4 1159 B19R3.86278 Ic1c[nH]c2c1c(ncn2)NC3CCOCC3 68a51e52a773adfd4dddfcb5a3694a57 [0,1,0,0,0,1|2,0,0]=4 1160 B19R3.1799921 CN(c1ncnc2c1cc[nH]2)C3CCOCC3 e5e02987bafc2c1b41c6922f6e979adc [0,1,0,0,0,1|2,0,0]=4 1161 B19R3.1799921 CN(c1ncnc2c1nc[nH]2)C3CCCCC3 3e5fc0d6f721d1b2e7d5e56e66308481 [0,1,0,0,0,1|2,0,0]=4 1162 B19R3.1799921 CN(c1ncnc2c1ncs2)C3CCOCC3 efaeb7828e1fe54148791d24e19e2ea6 [0,1,0,0,0,1|2,0,0]=4 1163 B19R3.1799921 O=C(c1ncnc2c1scc2)N3CCOCC3 0289d39921b13f3c0705fd3c3c3ea4e4 [0,1,0,0,0,1|2,0,0]=4 1164 B15R1.188 CCN(CCO)c1ncnc(c1N)NC df8e280e6eb600a071d5371f34543ecd [0,0,2,0,0,0|0,0,2]=4 1165 B15R1.238 CCOCCNc1ncnc(c1N)NC 6a2b6e47087c59f324d12656a58f0ac5 [0,0,2,0,0,0|0,0,2]=4 1166 B15R1.1233 CNc1ncnc(c1N)N(C)CCOC a0caeec6b70885753262de370222f78f [0,0,2,0,0,0|0,0,2]=4 1167 B15R1.236 CCOCCNc1ccnc(c1)NC=O 6d155ff9620fffcd8c6b3a46b74c248f [0,0,2,0,0,0|2,0,0]=4 1168 B17R3.483750 CN(CC1CC1)c2ncnc3c2cc[nH]3 a075817bbd866b3b5d7de9ec7161e44f [0,0,1,1,0,0|2,0,0]=4 1169 B17R3.483750 CN(CC1CC1)c2ncnc3c2nc[nH]3 87569999918453e86c2f1ce27a7b41a3 [0,0,1,1,0,0|1,0,0]=3 1170 B17R3.483750 CN(CC1CC1)c2ncnc3c2ncs3 f29b8bf5dfa5a445df1e4dad5cd2920e [0,0,1,1,0,0|2,0,0]=4 1171 B17R3.647426 CN(c1ncnc2c1cc[nH]2)C3CCC3 343aed1f90b55e94e5675fc3fe1a4269 [0,0,1,1,0,0|2,0,0]=4 1172 B17R3.647426 CN(c1ncnc2c1cc[nH]2)C3COC3 e3edff28faadb827bb3a471de046c409 [0,0,1,1,0,0|1,0,0]=3 1173 B17R3.647426 CN(c1ncnc2c1ccs2)C3COC3 5cf02889c7d883906f5641d21eb49f6b [0,0,1,1,0,0|2,0,0]=4 1174 B17R3.1910 c1cc2scnc2c(n1)NC3CCOC3 9118d2d62a101f0c75dff2b51f26c2f4 [0,0,1,1,0,0|2,0,0]=4 1175 B17R3.1910 c1cc2scnc2c(n1)N[C@@H]3CCOC3 7b32ed8176c467d9a3a178331304ef24 [0,0,1,1,0,0|2,0,0]=4 1176 B17R3.1910 c1cc2scnc2c(n1)N[C@H]3CCOC3 ec4eb98792b21169f0c78bc8623d3712 [0,0,1,1,0,0|2,0,0]=4 1177 B17R3.1910 c1cn2ncnc(c2n1)NC3CCOC3 fc0f5cb2e1b9cf33222cf634de8093fb [0,0,1,1,0,0|2,0,0]=4 1178 B17R3.1910 c1cn2ncnc(c2n1)N[C@@H]3CCOC3 b19da190d618233765571852ec09a0fd [0,0,1,1,0,0|2,0,0]=4 1179 B17R3.1910 c1cn2ncnc(c2n1)N[C@H]3CCOC3 5d7d971a9801fff6715d013c66818145 [0,0,1,1,0,0|2,0,0]=4 1180 B17R3.1910 c1nc(c2cc[nH]c2n1)NC3CCCC3 40040231dc2e3ff8a088d8d94c294983 [0,0,1,1,0,0|2,0,0]=4 1181 B17R3.1910 c1nc(c2nn[nH]c2n1)NC3CCCC3 80cb427d1cacc6903c68a8c3f375bf89 [0,0,1,1,0,0|2,0,0]=4 1182 B17R3.4525 CC1OCC1Nc2nccc3c2cc[nH]3 6cf0bb7d07b667efa7d7ffa3ba23d7de [0,0,1,1,0,0|2,0,0]=4 1183 B17R3.4525 CC1OCC1Nc2nccc3c2nco3 92edf4ffc4343a374478b55e445d83ff [0,0,1,1,0,0|2,0,0]=4 1184 B17R3.4525 CC1OCC1Nc2nccc3c2ncs3 b0a57dcb30f8ace335fa828eb0a481c3 [0,0,1,1,0,0|2,0,0]=4 1185 B17R3.4525 CC1OCC1Nc2ncnc3c2CCN3 8caafd0bfd3757db9ed237853403e7f6 [0,0,1,1,0,0|1,0,1]=4 1186 B17R3.4525 CC1OCC1Nc2ncnc3c2ccs3 3c6f662a07c49b02cf0f6edde0b6ba00 [0,0,1,1,0,0|2,0,0]=4 1187 B17R3.4525 CC1OCC1Nc2ncnn3c2ncc3 7809e828ef1a6f45703ff60675bdb3d5 [0,0,1,1,0,0|2,0,0]=4 1188 B17R3.20932 c1cc(c2cc[nH]c2n1)NCC3CCO3 dceb4b341443762c545c9e702f6d9d0f [0,0,1,1,0,0|2,0,0]=4 1189 B17R3.20932 c1cc(c2cc[nH]c2n1)NC[C@@H]3CCO3 6f458b3f65c2a185b0fa30bac8237cd8 [0,0,1,1,0,0|2,0,0]=4 1190 B17R3.20932 c1cc(c2cc[nH]c2n1)NC[C@H]3CCO3 d55c32261f4628eb8510c34111dbad3e [0,0,1,1,0,0|2,0,0]=4 1191 B17R3.20932 c1cc(c2nc[nH]c2c1)NCC3CCO3 7517a7749b9a4bd88f46a3ab1ef4c437 [0,0,1,1,0,0|2,0,0]=4 1192 B17R3.20932 c1cc(c2nc[nH]c2c1)NC[C@@H]3CCO3 763a95e874ab287d02dbbbf2382089e8 [0,0,1,1,0,0|2,0,0]=4 1193 B17R3.20932 c1cc(c2nc[nH]c2c1)NC[C@H]3CCO3 66ab43ef3b5246a66dee88278ed8b82a [0,0,1,1,0,0|2,0,0]=4 1194 B17R3.20932 c1cc(c2nc[nH]c2n1)NCC3CCC3 435297656e8663928b68c27bbf95e813 [0,0,1,1,0,0|2,0,0]=4 1195 B17R3.20932 c1cc(c2nc[nH]c2n1)NCC3CCO3 3cbd6622072b1356fbbbb2de9ee7ed41 [0,0,1,1,0,0|1,0,0]=3 1196 B17R3.20932 c1cc(c2nc[nH]c2n1)NC[C@@H]3CCO3 923090e6f1cc46fc1265c3ccd579a868 [0,0,1,1,0,0|1,0,0]=3 1197 B17R3.20932 c1cc(c2nc[nH]c2n1)NC[C@H]3CCO3 33b66196a04f33569c5e439dde5ffc05 [0,0,1,1,0,0|1,0,0]=3 1198 B17R3.20932 c1cc-2[nH]cnc(c2n1)NCC3CCO3 e2bfa4d7c4dc8067c3af84de559e5672 [0,0,1,1,0,0|1,0,1]=4 1199 B17R3.20932 c1cc-2[nH]cnc(c2n1)NC[C@@H]3CCO3 35e5f20ea55546780a1f583aab271c56 [0,0,1,1,0,0|1,0,1]=4 1200 B17R3.20932 c1cc-2[nH]cnc(c2n1)NC[C@H]3CCO3 91ff000092c612fa34d037de9ac5807d [0,0,1,1,0,0|1,0,1]=4 1201 B17R3.20932 c1cc2[nH]ccc2c(n1)NCC3CCO3 71b5444d153016cff0f338c8d64ede40 [0,0,1,1,0,0|2,0,0]=4 1202 B17R3.20932 c1cc2[nH]ccc2c(n1)NC[C@@H]3CCO3 c4cc06134ba33eb7f3e93c8df3877b83 [0,0,1,1,0,0|2,0,0]=4 1203 B17R3.20932 c1cc2[nH]ccc2c(n1)NC[C@H]3CCO3 59f0ab2ce2d37b63150beb3c7f7616d7 [0,0,1,1,0,0|2,0,0]=4 1204 B17R3.20932 c1cc2ocnc2c(n1)NCC3CCO3 245cc8de656059d108aafe3625a5b63c [0,0,1,1,0,0|2,0,0]=4 1205 B17R3.20932 c1cc2ocnc2c(n1)NC[C@@H]3CCO3 259cdc58a78ebc53d54bb72329ed07a2 [0,0,1,1,0,0|2,0,0]=4 1206 B17R3.20932 c1cc2ocnc2c(n1)NC[C@H]3CCO3 57ba207ddaf0cf3a70f2c0f565742a32 [0,0,1,1,0,0|2,0,0]=4 1207 B17R3.20932 c1cc2scnc2c(n1)NCC3CCO3 2568722c945c341d96bdd43a31f809ae [0,0,1,1,0,0|2,0,0]=4 1208 B17R3.20932 c1cc2scnc2c(n1)NC[C@@H]3CCO3 cc26c4782465d1a393e8a68909f58e2e [0,0,1,1,0,0|2,0,0]=4 1209 B17R3.20932 c1cc2scnc2c(n1)NC[C@H]3CCO3 0cf9ce2c592b7ff8d8a84c9c8256c987 [0,0,1,1,0,0|2,0,0]=4 1210 B17R3.20932 c1cn2ncnc(c2n1)NCC3CCO3 de13702c94c3dd316c4738b56f4039b4 [0,0,1,1,0,0|2,0,0]=4 1211 B17R3.20932 c1cn2ncnc(c2n1)NC[C@@H]3CCO3 5f9a8b73c6c9547a84098b87581eb37d [0,0,1,1,0,0|2,0,0]=4 1212 B17R3.20932 c1cn2ncnc(c2n1)NC[C@H]3CCO3 c3f0814a477462388846737699587cc6 [0,0,1,1,0,0|2,0,0]=4 1213 B17R3.20932 c1nc(c2[nH]ccc2n1)NCC3CCO3 01bc26e8ce448eb7262fdf944bc694ca [0,0,1,1,0,0|1,0,1]=4 1214 B17R3.20932 c1nc(c2[nH]ccc2n1)NC[C@@H]3CCO3 53f6f0ec0bbcacab6b978f93b1e9be8c [0,0,1,1,0,0|1,0,1]=4 1215 B17R3.20932 c1nc(c2[nH]ccc2n1)NC[C@H]3CCO3 8a1ffabb231d65b34a4e87b0ad23b8e8 [0,0,1,1,0,0|1,0,1]=4 1216 B17R3.20932 c1nc(c2cc[nH]c2n1)NCC3CCC3 3965222beab598078318a368836b0fd9 [0,0,1,1,0,0|2,0,0]=4 1217 B17R3.20932 c1nc(c2cc[nH]c2n1)NCC3CCO3 012ec0d49770fb947715cdc1c6ec8075 [0,0,1,1,0,0|1,0,0]=3 1218 B17R3.20932 c1nc(c2cc[nH]c2n1)NC[C@@H]3CCO3 2fc7d84d602cf8432e8126a3a36f3d86 [0,0,1,1,0,0|1,0,0]=3 1219 B17R3.20932 c1nc(c2cc[nH]c2n1)NC[C@H]3CCO3 90cd10320a32ecfc8a84db742dfc90c8 [0,0,1,1,0,0|1,0,0]=3 1220 B17R3.20932 c1nc(c2cc[nH]c2n1)OCC3CCO3 26d23467b8a00989ca63bf0361fe990f [0,0,1,1,0,0|2,0,0]=4 1221 B17R3.20932 c1nc(c2cc[nH]c2n1)OC[C@@H]3CCO3 f613a4d59a5e5176d4cee8bd7f5c8813 [0,0,1,1,0,0|2,0,0]=4 1222 B17R3.20932 c1nc(c2cc[nH]c2n1)OC[C@H]3CCO3 e1e044f9d4da1df28fa1722c9f1e46ce [0,0,1,1,0,0|2,0,0]=4 1223 B17R3.20932 c1nc(c2ccoc2n1)NCC3CCO3 a9191caa3c5207e3aaa34e1a169eb9e4 [0,0,1,1,0,0|2,0,0]=4 1224 B17R3.20932 c1nc(c2ccoc2n1)NC[C@@H]3CCO3 7e0937643bce2073858cd4cc65e2733b [0,0,1,1,0,0|2,0,0]=4 1225 B17R3.20932 c1nc(c2ccoc2n1)NC[C@H]3CCO3 2ab16c58befee1dbc4e877ba3f4406e2 [0,0,1,1,0,0|2,0,0]=4 1226 B17R3.20932 c1nc(c2ccsc2n1)NCC3CCO3 81e5bbc8870ccff570414e9871b63f51 [0,0,1,1,0,0|2,0,0]=4 1227 B17R3.20932 c1nc(c2ccsc2n1)NC[C@@H]3CCO3 9d4b2ed4e8861b9cb10af7b870c8bd86 [0,0,1,1,0,0|2,0,0]=4 1228 B17R3.20932 c1nc(c2ccsc2n1)NC[C@H]3CCO3 c2c7e8c44d6853e319d74938b4f3b018 [0,0,1,1,0,0|2,0,0]=4 1229 B17R3.20932 c1nc(c2cn[nH]c2n1)NCC3CCO3 c52abad40aa6776f42a989c2742a6d76 [0,0,1,1,0,0|2,0,0]=4 1230 B17R3.20932 c1nc(c2cn[nH]c2n1)NC[C@@H]3CCO3 f8bf7d2a32812c2dd89cf81926bb78ea [0,0,1,1,0,0|2,0,0]=4 1231 B17R3.20932 c1nc(c2cn[nH]c2n1)NC[C@H]3CCO3 4b896618bcd4b22b6d3ed22425091bd5 [0,0,1,1,0,0|2,0,0]=4 1232 B17R3.20932 c1nc(c2nc[nH]c2n1)NCC3CCC3 e577346d9e5d25418fa3a083ca7020a0 [0,0,1,1,0,0|1,0,0]=3 1233 B17R3.20932 c1nc(c2nc[nH]c2n1)NCC3CCO3 7453c3e63c168ac2a1bb9e134d448762 [0,0,1,1,0,0|0,0,0]=2 1234 B17R3.20932 c1nc(c2nc[nH]c2n1)NCC3COC3 206256ddde0374343e30735ff87db404 [0,0,1,1,0,0|2,0,0]=4 1235 B17R3.20932 c1nc(c2nc[nH]c2n1)NC[C@@H]3CCO3 803e2c196361235f422155c691cd0caf [0,0,1,1,0,0|0,0,0]=2 1236 B17R3.20932 c1nc(c2nc[nH]c2n1)NC[C@H]3CCO3 59653e0e939f5263ec38bbd6aec73fa2 [0,0,1,1,0,0|0,0,0]=2 1237 B17R3.20932 c1nc(c2ncsc2n1)NCC3CCC3 9066789d18dc324c7e7b4b650981de67 [0,0,1,1,0,0|2,0,0]=4 1238 B17R3.20932 c1nc(c2ncsc2n1)NCC3CCO3 41625c486a4a3b850b3057085d8c15f7 [0,0,1,1,0,0|1,0,0]=3 1239 B17R3.20932 c1nc(c2ncsc2n1)NC[C@@H]3CCO3 47ff08ec08597913bb338979fb7e90dd [0,0,1,1,0,0|1,0,0]=3 1240 B17R3.20932 c1nc(c2ncsc2n1)NC[C@H]3CCO3 51e8333bf7eb618a61304035c5320dc7 [0,0,1,1,0,0|1,0,0]=3 1241 B17R3.20932 c1nc(c2ncsc2n1)OCC3CCO3 2b4b100ccdc9a1b71133e12a276add0d [0,0,1,1,0,0|2,0,0]=4 1242 B17R3.20932 c1nc(c2ncsc2n1)OC[C@@H]3CCO3 46ae65a75b564a4559f9804859e29bbb [0,0,1,1,0,0|2,0,0]=4 1243 B17R3.20932 c1nc(c2ncsc2n1)OC[C@H]3CCO3 2e36162ae3932a87d296fd81213a01c7 [0,0,1,1,0,0|2,0,0]=4 1244 B17R3.20932 c1nc(c2nn[nH]c2n1)NCC3CCC3 e9846d4cd2f445ce4dc1e67596f1ea4b [0,0,1,1,0,0|2,0,0]=4 1245 B17R3.20932 c1nc(c2nn[nH]c2n1)NCC3CCO3 6a04f5ca0f8c923b8724bb670a9b1325 [0,0,1,1,0,0|1,0,0]=3 1246 B17R3.20932 c1nc(c2nn[nH]c2n1)NC[C@@H]3CCO3 12c95b608e392e9fe3f8343cddca5181 [0,0,1,1,0,0|1,0,0]=3 1247 B17R3.20932 c1nc(c2nn[nH]c2n1)NC[C@H]3CCO3 2c2395ab86f60c027e6a96b81fdf6a0a [0,0,1,1,0,0|1,0,0]=3 1248 B17R3.20932 c1nc(c2sccc2n1)NCC3CCO3 3c23a6ec201ed17e2f8b615ce4c25e58 [0,0,1,1,0,0|2,0,0]=4 1249 B17R3.20932 c1nc(c2sccc2n1)NC[C@@H]3CCO3 8640fc90d57f4e3ea120496242e6b1f0 [0,0,1,1,0,0|2,0,0]=4 1250 B17R3.20932 c1nc(c2sccc2n1)NC[C@H]3CCO3 60a23da910f8762eff924f274d26b5a0 [0,0,1,1,0,0|2,0,0]=4 1251 B17R3.20932 c1nc(n2ncnc2n1)NCC3CCO3 c36a5b71d331030aee14ea4efd13d274 [0,0,1,1,0,0|1,0,1]=4 1252 B17R3.20932 c1nc(n2ncnc2n1)NC[C@@H]3CCO3 0e326373df90662610a1da1d090dd2de [0,0,1,1,0,0|1,0,1]=4 1253 B17R3.20932 c1nc(n2ncnc2n1)NC[C@H]3CCO3 f441d2742b29d0815b5812d639b9f5fd [0,0,1,1,0,0|1,0,1]=4 1254 B17R3.20932 c1nc2c(c(n1)NCC3CCO3)CCN2 c22c54b97a5540c0a31ed027d16ee5e4 [0,0,1,1,0,0|1,0,1]=4 1255 B17R3.20932 c1nc2c(c(n1)NC[C@@H]3CCO3)CCN2 c9902195216a654b895fedcd3e16a16b [0,0,1,1,0,0|1,0,1]=4 1256 B17R3.20932 c1nc2c(c(n1)NC[C@H]3CCO3)CCN2 3fbac08ed1a03fe7e0566b2a3cfea571 [0,0,1,1,0,0|1,0,1]=4 1257 B17R3.127913 c1cc(c2nc[nH]c2n1)NCCC3CC3 125d9c57671bd51416726d8477c6624a [0,0,1,1,0,0|2,0,0]=4 1258 B17R3.127913 c1cc(c2nc[nH]c2n1)NCCN3CC3 ef006ce33ecfb2a0fa7614fa5d7bb4b7 [0,0,1,1,0,0|2,0,0]=4 1259 B17R3.127913 c1nc(c2cc[nH]c2n1)NCCC3CC3 11bb78e125e7ac67098bbb1e915649e8 [0,0,1,1,0,0|2,0,0]=4 1260 B17R3.127913 c1nc(c2nc[nH]c2n1)NCCC3CC3 43208dddb733d038ed40e9bb58c14fef [0,0,1,1,0,0|1,0,0]=3 1261 B17R3.127913 c1nc(c2ncsc2n1)NCCC3CC3 e05e60574728a5ad32298161849ad7ae [0,0,1,1,0,0|2,0,0]=4 1262 B17R3.127913 c1nc(c2ncsc2n1)NCCN3CC3 041e5e011b7a494a810f459706f2aa7c [0,0,1,1,0,0|2,0,0]=4 1263 B17R3.127913 c1nc(c2nn[nH]c2n1)NCCC3CC3 f41a0b1cc8ceb965354f4e04f61ae3e8 [0,0,1,1,0,0|2,0,0]=4 1264 B17R3.135326 CCN(c1ncnc2c1nc[nH]2)C3CC3 faf431f8dc120bd74c8c1fb40feb70e8 [0,0,1,1,0,0|1,0,0]=3 1265 B15R2.66 O=CNc1nnc(o1)N2CCOCC2 bb4e6887cdc5c93eb3e4ee4dae8ea37f [0,0,1,0,1,0|2,0,0]=4 1266 B15R2.66 O=CNc1nnc(s1)N2CCOCC2 1afa679f8869d35b57255adaa777fbe9 [0,0,1,0,1,0|2,0,0]=4 1267 B15R2.68 O=CNc1cc(ccn1)N2CCCC2 8ecdbcad0f02b2bd8d99ddf58dad1df9 [0,0,1,0,1,0|2,0,0]=4 1268 B15R2.68 O=CNc1ccnc(c1)N2CCCC2 b4cd67dcad3470572ee96318eb1d51a0 [0,0,1,0,1,0|2,0,0]=4 1269 B15R2.19570 CCCCCNc1nnc2n1nc[nH]2 4c809f8546cb63b9cf8b13f039088667 [0,0,1,0,1,0|2,0,0]=4 1270 B15R2.19570 CCOCCNc1nnc2n1nc[nH]2 a4f98795150ade9e8257cc042b6f4f81 [0,0,1,0,1,0|1,0,0]=3 1271 B15R2.19570 CCSCCNc1nnc2n1nc[nH]2 cb68ad8e2359c4cf98730ff5d4b5b333 [0,0,1,0,1,0|1,1,0]=4 1272 B17R2.440810 CCCCN(C)c1ncnc2c1nccn2 55e3a85520483d8a4e39c59c06e42acc [0,0,1,0,0,1|1,0,1]=4 1273 B17R2.440810 CN(CCON)c1ncnc2c1nccc2 f5662a7cf18c1f8a50b27697b0b52d33 [0,0,1,0,0,1|2,0,0]=4 1274 B17R2.440810 CN(CCON)c1ncnc2c1nccn2 9efffe526ad6649c6aaf01339141385f [0,0,1,0,0,1|1,0,1]=4 1275 B17R2.440810 COCCN(C)c1ccnc2c1cncc2 94291566a08a628ab3e0f56b353552c7 [0,0,1,0,0,1|2,0,0]=4 1276 B17R2.440810 COCCN(C)c1nccc2c1cncc2 2876978da7b703750e44b35411326ea8 [0,0,1,0,0,1|2,0,0]=4 1277 B17R2.440810 COCCN(C)c1ncnc2c1CCCN2 dd8182974dee017b675f5132cd567e9a [0,0,1,0,0,1|1,0,1]=4 1278 B17R2.440810 COCCN(C)c1ncnc2c1CCNC2 d56406b96978485f47069be376670a62 [0,0,1,0,0,1|1,0,1]=4 1279 B17R2.440810 COCCN(C)c1ncnc2c1OCCN2 1b97a77b702855de08df6d650678d894 [0,0,1,0,0,1|1,0,1]=4 1280 B17R2.440810 COCCN(C)c1ncnc2c1cccc2 909bd65d819b9cf15ac45d21a1ebb7b1 [0,0,1,0,0,1|2,0,0]=4 1281 B17R2.440810 COCCN(C)c1ncnc2c1cccn2 b9dd4d133e18409648d64738fa4fe90b [0,0,1,0,0,1|1,0,1]=4 1282 B17R2.440810 COCCN(C)c1ncnc2c1ccnc2 3bede8d4c6fb7dd671d6924779e5c0a7 [0,0,1,0,0,1|1,0,1]=4 1283 B17R2.440810 COCCN(C)c1ncnc2c1nccn2 117e943b36943a3318c06b368a7560eb [0,0,1,0,0,1|0,0,1]=3 1284 B17R2.440810 CSCCN(C)c1ncnc2c1nccn2 50770d6477d4dc77d2805406f040c7b3 [0,0,1,0,0,1|0,1,1]=4 1285 B17R2.148072 CCCCCNc1ncnc2c1cncn2 c95149a8cdeab0ef32d5d485c7f6e554 [0,0,1,0,0,1|1,0,1]=4 1286 B17R2.148072 CCCCCNc1ncnc2c1nccc2 f33f32f91fa426fc4296a2e2aa2d9d39 [0,0,1,0,0,1|2,0,0]=4 1287 B17R2.148072 CCOCCNc1ccnc2c1cncc2 d0102d1569ead4cb35d541b79c5e9084 [0,0,1,0,0,1|2,0,0]=4 1288 B17R2.148072 CCOCCNc1ccnc2c1nccc2 36408579061d91a11a046f5ae49448d6 [0,0,1,0,0,1|2,0,0]=4 1289 B17R2.148072 CCOCCNc1ccnc2c1nccn2 c9731c0bdb61440cb7ac1d3307cee410 [0,0,1,0,0,1|1,0,1]=4 1290 B17R2.148072 CCOCCNc1nccc2c1cncc2 589688b7cb4edb03fa404f617edf7f45 [0,0,1,0,0,1|2,0,0]=4 1291 B17R2.148072 CCOCCNc1nccc2c1nccc2 f02f961a9d261219b32bddc62db5dadd [0,0,1,0,0,1|2,0,0]=4 1292 B17R2.148072 CCOCCNc1nccc2c1nccn2 e9e3deb23b4b806d1b6742087261b950 [0,0,1,0,0,1|1,0,1]=4 1293 B17R2.148072 CCOCCNc1ncnc2c1CCCN2 df39d099941b3a60fc9b0b5ac4807ff2 [0,0,1,0,0,1|1,0,1]=4 1294 B17R2.148072 CCOCCNc1ncnc2c1CCNC2 f4c3f807cb0b26725f3753c1f98e2ada [0,0,1,0,0,1|1,0,1]=4 1295 B17R2.148072 CCOCCNc1ncnc2c1OCCN2 b8645c53bb50803411f754b1b371ca50 [0,0,1,0,0,1|1,0,1]=4 1296 B17R2.148072 CCOCCNc1ncnc2c1cccc2 ca8e772f7259f950c92551514c88ee45 [0,0,1,0,0,1|2,0,0]=4 1297 B17R2.148072 CCOCCNc1ncnc2c1cccn2 591dc3abf26562441539e6457ba53d1d [0,0,1,0,0,1|1,0,1]=4 1298 B17R2.148072 CCOCCNc1ncnc2c1ccnc2 1fb9667728f1662bd7045b125a83cb9f [0,0,1,0,0,1|1,0,1]=4 1299 B17R2.148072 CCOCCNc1ncnc2c1cncn2 c557c17ed98621b5777710c2a992cc8f [0,0,1,0,0,1|0,0,1]=3 1300 B17R2.148072 CCOCCNc1ncnc2c1nccc2 14de724d77ea02e9a8a6bc37087fd9c1 [0,0,1,0,0,1|1,0,0]=3 1301 B17R2.148072 CCOCCNc1ncnc2c1nccn2 e7ebef2b7e9ee13d292c807bbe2bd841 [0,0,1,0,0,1|0,0,1]=3 1302 B17R2.148072 CCOCCOc1ncnc2c1cncc2 1296fe42eb7e4e58cf97191b2d9f42a9 [0,0,1,0,0,1|2,0,0]=4 1303 B17R2.148072 CCOCCOc1ncnc2c1nccc2 53141bb35f1177b506fd22c5bedcc60a [0,0,1,0,0,1|2,0,0]=4 1304 B17R2.148072 CCOCCOc1ncnc2c1nccn2 506ea75a7cf9e7aeabd3d4a30dba6df0 [0,0,1,0,0,1|1,0,1]=4 1305 B17R2.148072 CCSCCNc1ncnc2c1cncn2 739e4bd31d51562830f426df69de4f7b [0,0,1,0,0,1|0,1,1]=4 1306 B17R2.148072 CCSCCNc1ncnc2c1nccc2 14f622bf9af180b2fc8298245cd87505 [0,0,1,0,0,1|1,1,0]=4 1307 B17R2.21540 CCCC(CC)Nc1ncnc2c1nc[nH]2 8e423b9c11b85a560985f642836797f9 [0,0,1,0,0,1|2,0,0]=4 1308 B17R2.163534 CCCN(CC)c1ncnc2c1nccc2 83bc6d59534a83ad2f315207a87920a2 [0,0,1,0,0,1|2,0,0]=4 1309 B17R2.163534 CCCN(CC)c1ncnc2c1nccn2 4f0373e94b84820f7af82c71f5b1d7a3 [0,0,1,0,0,1|1,0,1]=4 1310 B17R2.163534 CCN(CCO)c1nccc2c1cncc2 c99d89561a5d930502fa79e60def886e [0,0,1,0,0,1|2,0,0]=4 1311 B17R2.163534 CCN(CCO)c1ncnc2c1CCCN2 7bad3201822c29a1e8ef84d92be949e6 [0,0,1,0,0,1|1,0,1]=4 1312 B17R2.163534 CCN(CCO)c1ncnc2c1CCNC2 418a744a9c3b8da83b7c28dbf21c1c65 [0,0,1,0,0,1|1,0,1]=4 1313 B17R2.163534 CCN(CCO)c1ncnc2c1OCCN2 88e9fbeb1580285aacaae1f280c338dd [0,0,1,0,0,1|1,0,1]=4 1314 B17R2.163534 CCN(CCO)c1ncnc2c1cccn2 f0aa039cc5a0c031dc42eae95f01e58b [0,0,1,0,0,1|1,0,1]=4 1315 B17R2.163534 CCN(CCO)c1ncnc2c1ccnc2 f40e433c68f9a112ed1e575b83c44667 [0,0,1,0,0,1|1,0,1]=4 1316 B17R2.163534 CCN(CCO)c1ncnc2c1nccc2 daf736cc6115c39e99b3ec1f068e4d64 [0,0,1,0,0,1|1,0,0]=3 1317 B17R2.163534 CCN(CCO)c1ncnc2c1nccn2 2217a437583cc582b41ef8abcda7164d [0,0,1,0,0,1|0,0,1]=3 1318 B17R2.163534 OCCN(CO)c1ncnc2c1nccc2 06c6e7b5271877cb5863d197eb22e553 [0,0,1,0,0,1|2,0,0]=4 1319 B17R2.163534 OCCN(CO)c1ncnc2c1nccn2 5934d23f9dfd9486e10212734534f805 [0,0,1,0,0,1|1,0,1]=4 1320 B19R3.28 c1cnc2c(ncnc2c1)NC3CCOCC3 ad0ede1fc0f1e575e6d14c4329ba1b08 [0,0,0,0,0,2|2,0,0]=4 1321 B19R3.28 c1cnc2c(ncnc2c1)OC3CCOCC3 ff50f85cad8a309131de6ff6bf5b8888 [0,0,0,0,0,2|2,0,0]=4 1322 B19R3.28 c1cnc2c(ncnc2n1)OC3CCOCC3 c498a098150d1caa41225f3caa48de85 [0,0,0,0,0,2|1,0,1]=4 1323 B19R3.19245 C1=C(CCOC1)CNc2ncnc3c2nc[nH]3 a950dc8fd0e5918b2aa3c6b9fa71ec71 [0,0,0,0,0,2|1,0,1]=4 1324 B19R3.19245 c1cc(c2nc[nH]c2n1)NCC3CCOCC3 e784587296cd4cbe2a80e1c1a1b49541 [0,0,0,0,0,2|2,0,0]=4 1325 B19R3.19245 c1nc(c2cc[nH]c2n1)COC3CCOCC3 53bae229c03e4561a45a40c7a3ae20f8 [0,0,0,0,0,2|2,0,0]=4 1326 B19R3.19245 c1nc(c2cc[nH]c2n1)NCC3CCOCC3 96797a9f0d36fba2928a7f4769400fb1 [0,0,0,0,0,2|2,0,0]=4 1327 B19R3.19245 c1nc(c2cc[nH]c2n1)OCC3CCOCC3 1486ddfcefa473c5b927589173e7099a [0,0,0,0,0,2|2,0,0]=4 1328 B19R3.19245 c1nc(c2nc[nH]c2n1)NCC3CCCCC3 b39f6b10d3d6da19d81f4c24971df1b3 [0,0,0,0,0,2|2,0,0]=4 1329 B19R3.19245 c1nc(c2nc[nH]c2n1)NCC3CCOCC3 7cc0f3ed8588dd138c2162acffc2dde9 [0,0,0,0,0,2|1,0,0]=3 1330 B19R3.19245 c1nc(c2nc[nH]c2n1)NCC3CCSCC3 272a9e9046a4892c94ea852ea1646af4 [0,0,0,0,0,2|1,1,0]=4 1331 B19R3.19245 c1nc(c2ncsc2n1)NCC3CCOCC3 63c2f0e8e69a0f881bda1f969d027e5f [0,0,0,0,0,2|2,0,0]=4 1332 B19R3.19245 c1nc(c2ncsc2n1)OCC3CCOCC3 746306c614fbfbf9c19968180f177763 [0,0,0,0,0,2|2,0,0]=4 1333 B19R3.19245 c1nc(c2nn[nH]c2n1)NCC3CCOCC3 476d74f1864e24ac39ea00e1fbded008 [0,0,0,0,0,2|2,0,0]=4