0 B17R3.1941 c1cc(ccn1)c2ccc3cncn3c2 4227d9e47bea81356ac3683d919bd9f8 [0,0,0,0,0,0|2,0,2]=4 1 B17R3.1941 c1cc(cnn1)c2ccc3cncn3c2 637359b0984cc13f5eda5eb57d91fb90 [0,0,0,0,0,0|1,0,3]=4 2 B17R3.1941 c1cc(ncn1)c2ccc3cncn3c2 80e1b77b40cf678248a58351b4adaf17 [0,0,0,0,0,0|3,0,1]=4 3 B17R3.1941 c1cc2cncn2cc1c3cnnnc3 ce72f650b055c31c6e8b387c1e26b468 [0,0,0,0,0,0|2,0,2]=4 4 B17R3.1941 c1ccc(cc1)c2ccc3cncn3c2 227608d46e83587b685ce4eaba3a0686 [0,0,0,0,0,0|1,0,3]=4 5 B17R3.1941 c1ccc(nc1)c2ccc3cncn3c2 28e8f4133ee7a4f474fd01f8a1a79cee [0,0,0,0,0,0|2,0,2]=4 6 B17R3.1941 c1cnc(cn1)c2ccc3cncn3c2 abaf702bead652971deabea2615565fe [0,0,0,0,0,0|3,0,1]=4 7 B17R3.1941 c1cncc(c1)c2ccc3cncn3c2 16a264b000006c253e2fd4e13b7a1775 [0,0,0,0,0,0|0,0,4]=4 8 B17R3.1941 c1cnnc(c1)c2ccc3cncn3c2 a3fe9d822f6b1db2e4305b079334793d [0,0,0,0,0,0|1,0,3]=4 9 B17R3.1941 c1ncc(cn1)c2ccc3cncn3c2 03a461b37f4cd82bdbd14b3aa8b247a1 [0,0,0,0,0,0|1,0,3]=4 10 B17R3.1941 c1ncc(nn1)c2ccc3cncn3c2 02861af330e4f5e6eccf91c62807155f [0,0,0,0,0,0|2,0,2]=4 11 B18R3.2972 O=c1ccc(c[nH]1)c2ccc3cncn3c2 83a5e02186aa7effc46d2e547ca28141 [0,1,0,0,0,0|0,0,3]=4 12 B18R3.2972 S=c1ncc(c[nH]1)c2ccc3cncn3c2 c88a8f19596ef4fbe1bb9d5fc50775c5 [0,1,0,0,0,0|1,0,2]=4 13 B18R3.3958 O=c1[nH]cccc1c2ccc3cncn3c2 f5d13c58fb77edcbfd0fdc593cae8e7b [0,1,0,0,0,0|0,0,3]=4 14 B18R3.3958 O=c1cc[nH]cc1c2ccc3cncn3c2 26b3ecc5297c1fa30c052e60563d6ed2 [0,1,0,0,0,0|0,0,3]=4 15 B18R3.3958 O=c1nc[nH]cc1c2ccc3cncn3c2 c45f7cd08634991d500d35f0ed03e1a6 [0,1,0,0,0,0|1,0,2]=4 16 B18R3.3958 S=c1[nH]cccc1c2ccc3cncn3c2 9c58832f92c13ae56ad8feabf71dfa03 [0,1,0,0,0,0|0,0,3]=4 17 B18R3.3958 S=c1cc[nH]cc1c2ccc3cncn3c2 407a574d7e463fa6765975f63825feb2 [0,1,0,0,0,0|0,0,3]=4 18 B16R2.2122 CCCNC(=O)c1ccc2cncn2c1 e866543f54b74e48425b557dd95db157 [0,0,1,0,0,0|3,0,0]=4 19 B16R2.2122 O=C(NCCBr)c1ccc2cncn2c1 19c42db09787d37f8c1d5fd0cd56f36e [0,0,1,0,0,0|3,0,0]=4 20 B16R2.2122 O=C(NCCF)c1ccc2cncn2c1 66176cafb1e2f0769886915ca76c9a0c [0,0,1,0,0,0|3,0,0]=4 21 B16R2.2122 O=C(NCCI)c1ccc2cncn2c1 e462be20d10e2eea44b16df6a387241b [0,0,1,0,0,0|3,0,0]=4 22 B16R2.2122 O=C(NCCO)c1ccc2cncn2c1 8da41dd59945c2e4961ee1175d69fdc4 [0,0,1,0,0,0|3,0,0]=4 23 B16R2.2122 O=C(NCCS)c1ccc2cncn2c1 d65a4f3d106693e18de4fa7cb341ce1b [0,0,1,0,0,0|3,0,0]=4 24 B16R2.3136 C=CCCCNc1ccc2cncn2c1 f049685ee7ba4d9e0d0692e581c00116 [0,0,1,0,0,0|2,0,1]=4 25 B16R2.3136 CCCCCNc1ccc2cncn2c1 99d154fe5062228fe56c1a32a6456c48 [0,0,1,0,0,0|2,0,1]=4 26 B16R2.3136 CCCCOCc1ccc2cncn2c1 a2df168a8c6c0ee126188110b06ec3d5 [0,0,1,0,0,0|2,0,1]=4 27 B16R2.3136 COCCCNc1ccc2cncn2c1 c4fd4b6c2358a3ca4a430dc739fbe897 [0,0,1,0,0,0|2,0,1]=4 28 B16R2.3136 COCCOCc1ccc2cncn2c1 566332c9dc1bffef39b90d1ad6b9b949 [0,0,1,0,0,0|2,0,1]=4 29 B16R2.3136 CSCCOCc1ccc2cncn2c1 ff0c96e8e590255dba1c01721b271e48 [0,0,1,0,0,0|2,0,1]=4 30 B16R2.3136 ClCCCCNc1ccc2cncn2c1 72c429be2e4bf4e67d9f72f8cd84bdcf [0,0,1,0,0,0|3,0,0]=4 31 B16R2.3136 OCCCCNc1ccc2cncn2c1 315d9f1068f9a8eee317b7d74fb9e1c0 [0,0,1,0,0,0|3,0,0]=4 32 B16R2.3136 SCCCCNc1ccc2cncn2c1 ceaea36101a7f7e5208f92cac8c78ae3 [0,0,1,0,0,0|3,0,0]=4 33 B16R3.1779 c1c[nH]c(c1)c2ccc3cccn3c2 cda215e6cc69c78effc9952c2823cea8 [0,0,0,0,1,0|1,0,2]=4 34 B16R3.1779 c1c[nH]c(c1)c2ccc3cncn3c2 8bde741189a56158408f888bfc1781f4 [0,0,0,0,1,0|0,0,2]=3 35 B16R3.1779 c1c[nH]c(c1)c2ccc3cnnn3c2 1e6d1913af4d8b99e566bb9e4d20eee1 [0,0,0,0,1,0|1,0,2]=4 36 B16R3.1779 c1c[nH]c(c1)c2ccc3nncn3c2 cd050c278ec6957af9f2f012e8a58f5c [0,0,0,0,1,0|1,0,2]=4 37 B16R3.1779 c1c[nH]c(c1)c2cn3cncc3cn2 43772526cf85bd23e6e7521edd0fae35 [0,0,0,0,1,0|1,0,2]=4 38 B16R3.1779 c1c[nH]c(c1)c2cnc3cncn3c2 4168c4eb7315642b7ae174b3bef5db9a [0,0,0,0,1,0|1,0,2]=4 39 B16R3.1779 c1c[nH]c(n1)c2ccc3cncn3c2 4a754d97df8df7ee13aadbfd1824f454 [0,0,0,0,1,0|1,0,2]=4 40 B16R3.1779 c1cc([nH]n1)c2cn3cncc3cn2 c3e7ceacf7220011c71f8490bce6e5f0 [0,0,0,0,1,0|2,0,1]=4 41 B16R3.1779 c1cc([nH]n1)c2cnc3cncn3c2 da40c803c189133bf9b6e28391467261 [0,0,0,0,1,0|2,0,1]=4 42 B16R3.1779 c1cc(c[nH]1)c2ccc3cncn3c2 8ac053374e546338406a387414271926 [0,0,0,0,1,0|0,0,2]=3 43 B16R3.1779 c1cc(c[nH]1)c2ccc3cnnn3c2 0804c5d009df0aa83e636c8bbac6df6b [0,0,0,0,1,0|1,0,2]=4 44 B16R3.1779 c1cc(c[nH]1)c2ccc3nncn3c2 86680977a2325e1af24dc4c18142e05a [0,0,0,0,1,0|1,0,2]=4 45 B16R3.1779 c1cc(c[nH]1)c2cn3cncc3cn2 e29fe2baeaf9690dd67728f0301921a6 [0,0,0,0,1,0|1,0,2]=4 46 B16R3.1779 c1cc(c[nH]1)c2cnc3cncn3c2 a2d921b18f4c2026ce6b989fc2d0d086 [0,0,0,0,1,0|1,0,2]=4 47 B16R3.1779 c1cc(co1)c2ccc3cncn3c2 52e6587911c39673fc05a3f617e27358 [0,0,0,0,1,0|1,0,2]=4 48 B16R3.1779 c1cc(cs1)c2ccc3cncn3c2 273b816a9361d76c2629600e35ad2968 [0,0,0,0,1,0|1,0,2]=4 49 B16R3.1779 c1cc(n[nH]1)c2ccc3cncn3c2 d185c2bac6dc3d4bc1ee68b8490337cf [0,0,0,0,1,0|1,0,1]=3 50 B16R3.1779 c1cc(n[nH]1)c2ccc3cnnn3c2 a7f29912ee894cce6d09ebdd0b821b6a [0,0,0,0,1,0|2,0,1]=4 51 B16R3.1779 c1cc(n[nH]1)c2ccc3nncn3c2 405d266ddd8147015927052345fef2e2 [0,0,0,0,1,0|2,0,1]=4 52 B16R3.1779 c1cc(no1)c2ccc3cncn3c2 d103f30c7a8e8f6322e66c4ee875b1a9 [0,0,0,0,1,0|1,0,2]=4 53 B16R3.1779 c1cc(ns1)c2ccc3cncn3c2 808a06e7af4dc62d66f5c14b3e8c0748 [0,0,0,0,1,0|1,0,2]=4 54 B16R3.1779 c1cc(on1)c2ccc3cncn3c2 366f869d7c45bfe55c959dcfcab10893 [0,0,0,0,1,0|1,0,2]=4 55 B16R3.1779 c1cc(sn1)c2ccc3cncn3c2 b89452d29e3bb6085251ac60e2f17f28 [0,0,0,0,1,0|1,0,2]=4 56 B16R3.1779 c1cc2ccc(cn2c1)c3cc[nH]c3 53e5b2ff466147260cb95f46dce8ba32 [0,0,0,0,1,0|1,0,2]=4 57 B16R3.1779 c1cc2ccc(cn2c1)c3ccn[nH]3 eb77a3b3e301bce533e5dac66249dee8 [0,0,0,0,1,0|2,0,1]=4 58 B16R3.1779 c1cc2ccc(cn2c1)c3cn[nH]c3 69a7300e375b66216695992028f07f21 [0,0,0,0,1,0|2,0,1]=4 59 B16R3.1779 c1cc2cncn2cc1c3c[nH]nn3 80f6d00c006e82aa79a3c3116919f099 [0,0,0,0,1,0|2,0,1]=4 60 B16R3.1779 c1cc2cncn2cc1c3cn[nH]c3 51067666b3114bb59b0e59c17ea5b25b [0,0,0,0,1,0|1,0,1]=3 61 B16R3.1779 c1cc2cncn2cc1c3cnns3 cc3c2e17af51297c77e906f97c2f662e [0,0,0,0,1,0|2,0,1]=4 62 B16R3.1779 c1cc2cncn2cc1c3cnoc3 af583bdb409f053572ed398e3ad2f8a7 [0,0,0,0,1,0|1,0,2]=4 63 B16R3.1779 c1cc2cncn2cc1c3cnsc3 9cced4c14cbc3b905f634a25808869e5 [0,0,0,0,1,0|1,0,2]=4 64 B16R3.1779 c1cc2cncn2cc1c3cnsn3 aef8fa2ac6c79daadd29ca2409612696 [0,0,0,0,1,0|2,0,1]=4 65 B16R3.1779 c1cc2cncn2cc1c3csnn3 81d7d378ee3f38859d2dfffad0d828b0 [0,0,0,0,1,0|2,0,1]=4 66 B16R3.1779 c1cc2cncn2cc1c3nn[nH]n3 20cd260b42498441944a57bde144b828 [0,0,0,0,1,0|3,0,0]=4 67 B16R3.1779 c1cc2cnnn2cc1c3cn[nH]c3 33eae0e247feec91589664e8c642d208 [0,0,0,0,1,0|2,0,1]=4 68 B16R3.1779 c1cc2nncn2cc1c3cn[nH]c3 060faab25adea2db00c7865860b5d49c [0,0,0,0,1,0|2,0,1]=4 69 B16R3.1779 c1coc(c1)c2ccc3cncn3c2 ddd1ef33ab97206719d8f4b3556e662e [0,0,0,0,1,0|1,0,2]=4 70 B16R3.1779 c1csc(c1)c2ccc3cncn3c2 46b22ac10574113f27e557cecc66a1aa [0,0,0,0,1,0|1,0,2]=4 71 B16R3.1779 c1n[nH]cc1c2cn3cncc3cn2 2f5f5076fe847bed5d5e39ebd66d8065 [0,0,0,0,1,0|2,0,1]=4 72 B16R3.1779 c1n[nH]cc1c2cnc3cncn3c2 0d5730ca20e485bd8943298ff1cb6a8d [0,0,0,0,1,0|2,0,1]=4 73 B16R3.1779 c1nc(c[nH]1)c2ccc3cncn3c2 97066de76293195a84f06ce3744b8e8d [0,0,0,0,1,0|1,0,2]=4 74 B16R3.1779 c1nc(co1)c2ccc3cncn3c2 04d567d3212ae0c330a11fa49e4e711b [0,0,0,0,1,0|1,0,2]=4 75 B16R3.1779 c1nc(cs1)c2ccc3cncn3c2 616b69b2c0d0a904291ba888aad47f49 [0,0,0,0,1,0|1,0,2]=4 76 B16R3.1779 c1nc(n[nH]1)c2ccc3cncn3c2 88ec1cfcdeef47e0aae921b74fe81aa6 [0,0,0,0,1,0|2,0,1]=4 77 B16R3.1779 c1ncc(o1)c2ccc3cncn3c2 99bc814aebffebe76274c9762670774c [0,0,0,0,1,0|2,0,1]=4 78 B16R3.1779 c1ncc(s1)c2ccc3cncn3c2 178ba5cc8302d1c928a6226f59c82a8a [0,0,0,0,1,0|2,0,1]=4 79 B15R2.2123 C=CCCNc1ccc2cncn2c1 a9d6faad5efb7d8d643c535e342433a9 [1,0,1,0,0,0|1,0,1]=4 80 B15R2.2123 C=CCOCc1ccc2cncn2c1 fc3458b4a036646110d64655fb456c88 [1,0,1,0,0,0|1,0,1]=4 81 B15R2.2123 CCCOCc1ccc2cncn2c1 fade5fb1f858e23f5c4075f1eb0ebb5b [1,0,1,0,0,0|1,0,1]=4 82 B15R2.2123 COCCNc1ccc2cncn2c1 ce8a317f4a6833705b067f2cb25d66bb [1,0,1,0,0,0|2,0,0]=4 83 B15R2.2123 ClCCCNc1ccc2cncn2c1 e485965cc93f2b38a03d3ec7a36736fd [1,0,1,0,0,0|2,0,0]=4 84 B15R2.2123 FCCOCc1ccc2cncn2c1 5d9868b7e19bff469415aaedfbce1d47 [1,0,1,0,0,0|2,0,0]=4 85 B15R2.2123 SCCOCc1ccc2cncn2c1 c2012057b8777f1f91cd95d77a4e8a6c [1,0,1,0,0,0|2,0,0]=4 86 B17R2.2316 CCCCNC(=O)c1ccc2cncn2c1 06a24a3eb3892f7d9dc149022e12f3e5 [0,1,1,0,0,0|2,0,0]=4 87 B17R2.2316 NOCCNC(=O)c1ccc2cncn2c1 aa5bb62c6587692dbfa74db29e8569c0 [0,1,1,0,0,0|2,0,0]=4 88 B17R2.8766 C=CCCCCNc1ccc2cncn2c1 54e02b023de7c1f3905811563f400277 [0,1,1,0,0,0|2,0,0]=4 89 B17R2.44830 CN(C)CCOCc1ccc2cncn2c1 d20ae90ffbe2a471afafdea85921daaa [0,1,1,0,0,0|1,0,1]=4 90 B17R3.2399 Cc1cc(c[nH]1)c2ccc3cncn3c2 999a6c523a3b35aabff1aaed11838681 [0,1,0,0,1,0|0,0,2]=4 91 B17R3.2399 Cc1cc(n[nH]1)c2ccc3cncn3c2 78f4377460c9d4033f622745ab2c8ec7 [0,1,0,0,1,0|1,0,1]=4 92 B17R3.2399 Cc1ccc([nH]1)c2ccc3cncn3c2 0133dd697642f9fec575f9479feff124 [0,1,0,0,1,0|0,0,2]=4 93 B17R3.2399 Cn1cc(cn1)c2ccc3cncn3c2 6f56ad4f4734c5087b78129438aef9f1 [0,1,0,0,1,0|1,0,1]=4 94 B17R3.2399 Cn1ccc(c1)c2ccc3cncn3c2 6b960a85a8bbbfd7d901b22485dfa690 [0,1,0,0,1,0|0,0,2]=4 95 B17R3.2399 Cn1ccc(n1)c2ccc3cncn3c2 9002100e308e37bc895ed77285fb6f1e [0,1,0,0,1,0|1,0,1]=4 96 B17R3.2399 Cn1ncc(n1)c2ccc3cncn3c2 ff5da40e0a0f9ef7698c8a393889c5d3 [0,1,0,0,1,0|2,0,0]=4 97 B17R3.2399 Nc1cc([nH]n1)c2ccc3cncn3c2 3572947353eb453d608c1575f6dc320a [0,1,0,0,1,0|1,0,1]=4 98 B17R3.2399 On1cc(cn1)c2ccc3cncn3c2 228b4583fdeeb4876a5edad50230a1f2 [0,1,0,0,1,0|1,0,1]=4 99 B17R3.2856 Cc1cc2cncn2cc1c3cc[nH]c3 2861d3a8beeaaf7fcf5d23df047c7281 [0,1,0,0,1,0|0,0,2]=4 100 B17R3.2856 Cc1cc2cncn2cc1c3ccc[nH]3 fbfec02235811de1685caae60046d927 [0,1,0,0,1,0|0,0,2]=4 101 B17R3.2856 Cc1cc2cncn2cc1c3ccn[nH]3 9ccbb1b4e2b90d862c4950de98c52c6c [0,1,0,0,1,0|1,0,1]=4 102 B17R3.2856 Cc1cc2cncn2cc1c3cn[nH]c3 35d397f495d51ec6897b70924d642966 [0,1,0,0,1,0|1,0,1]=4 103 B17R3.2958 Cc1c[nH]nc1c2ccc3cncn3c2 6b17133187851c25a11ee1691d18f5ca [0,1,0,0,1,0|1,0,1]=4 104 B17R3.2958 Cc1n[nH]cc1c2ccc3cncn3c2 6886c3a6dfd560ba23627f981a0998df [0,1,0,0,1,0|1,0,1]=4 105 B17R3.2958 Cc1nn[nH]c1c2ccc3cncn3c2 74408c59f99baff4ee8337887b490bc0 [0,1,0,0,1,0|2,0,0]=4 106 B17R3.2958 Clc1n[nH]cc1c2ccc3cncn3c2 65c2fc9d5bfd90a8287237e260a71b85 [0,1,0,0,1,0|1,0,1]=4 107 B17R3.2958 Cn1cccc1c2ccc3cncn3c2 e2db6da759378ce1df28433686648e83 [0,1,0,0,1,0|0,0,2]=4 108 B17R3.2958 Cn1cncc1c2ccc3cncn3c2 82600d6d2d172262cca8c870ca2cb777 [0,1,0,0,1,0|1,0,1]=4 109 B17R3.2958 Cn1nccc1c2ccc3cncn3c2 9aefc1131eda7a9a3a53d77038c1fa11 [0,1,0,0,1,0|1,0,1]=4 110 B17R3.2958 Cn1nncc1c2ccc3cncn3c2 022fd7e36dc0940d83d702c2d5f8e699 [0,1,0,0,1,0|2,0,0]=4 111 B17R3.2958 Fc1c[nH]nc1c2ccc3cncn3c2 3c083ad777bbb96be3b852ec36f5fe91 [0,1,0,0,1,0|1,0,1]=4 112 B17R3.2958 Fc1n[nH]cc1c2ccc3cncn3c2 cc362eb72a5027d0d0e4ab25b99faa61 [0,1,0,0,1,0|1,0,1]=4 113 B17R3.2958 Fc1nc[nH]c1c2ccc3cncn3c2 8197b463346f2adb09ecfcd7813dcd04 [0,1,0,0,1,0|1,0,1]=4 114 B17R3.2958 Nc1c[nH]nc1c2ccc3cncn3c2 63248a07539e399665d5b1998f5a6ac5 [0,1,0,0,1,0|1,0,1]=4 115 B17R3.2958 Nc1n[nH]cc1c2ccc3cncn3c2 b47c5cc6b4effc573701f1739c8bf6f5 [0,1,0,0,1,0|1,0,1]=4 116 B17R3.3250 Cc1ncn2c1ccc(c2)c3cc[nH]c3 662cad90912f2f7b4ca6b83f4ae8933b [0,1,0,0,1,0|0,0,2]=4 117 B17R3.3250 Cc1ncn2c1ccc(c2)c3ccc[nH]3 11d61fe66d9475fd7ff68c97e5f11615 [0,1,0,0,1,0|0,0,2]=4 118 B17R3.3250 Cc1ncn2c1ccc(c2)c3ccn[nH]3 daeb5f34c8cd8c52d1727980657cf3e1 [0,1,0,0,1,0|1,0,1]=4 119 B17R3.3250 Cc1ncn2c1ccc(c2)c3cn[nH]c3 46640136e0f3c6372fe04696423528e8 [0,1,0,0,1,0|1,0,1]=4 120 B19R3.19268 C1=C(CCCC1)CNc2ccc3cccn3c2 0c4f3836525ccf42990722709d234fe4 [0,0,0,0,0,2|2,0,0]=4 121 B19R3.19268 C1=C(CCCC1)CNc2ccc3cnnn3c2 9ceeac1e5b461deaba9eaa66984ffc0f [0,0,0,0,0,2|2,0,0]=4 122 B19R3.19268 C1=C(CCCC1)CNc2ccc3nncn3c2 09b675d1cda6ce744311759a9b4c4a06 [0,0,0,0,0,2|2,0,0]=4