0 B10R1.4 CCNc1ccn[nH]c1=O 37f33b523198f2bf79b96c0187276259 [0,0,1,0,0,0|0,0,2]=3 1 B10R1.4 CCNc1ccn[nH]c1=S 65c1688bb1c8baa54668e22ef1d0c626 [0,0,1,0,0,0|0,1,2]=4 2 B10R1.4 Cc1cnccc1NC=O 097b7c8f6102fdb97f5ed9ba0f37156f [0,0,1,0,0,0|3,0,0]=4 3 B10R1.4 Cc1nnccc1NC=O 343696ed1d5858faa36f4c0c6c5c96ab [0,0,1,0,0,0|2,0,1]=4 4 B10R1.4 FCNc1ccn[nH]c1=S cf3a398731a9b29d07e5ebb621ed4b54 [0,0,1,0,0,0|1,1,1]=4 5 B10R1.4 O=CNc1ccncc1Cl 734a66ac7d7f2aa4f2065324b96fe67c [0,0,1,0,0,0|3,0,0]=4 6 B10R1.4 O=CNc1ccncc1F 54f9fb25ed013771f5dfd7f4f63bbf45 [0,0,1,0,0,0|3,0,0]=4 7 B10R1.4 O=CNc1ccncc1I d42bc74a08da7c0623dd1f31e79a9861 [0,0,1,0,0,0|3,0,0]=4 8 B10R1.4 O=c1[nH]nccc1NCF bdd77ac2de5dbbeab128c09e003bee48 [0,0,1,0,0,0|1,0,1]=3 9 B10R1.4 O=c1[nH]nccc1NCO 4342eb40d9c05509f3040190fe6949f9 [0,0,1,0,0,0|1,0,1]=3 10 B10R1.4 OCNc1ccn[nH]c1=S c59229ec77249aec8d7823827063fe89 [0,0,1,0,0,0|1,1,1]=4 11 B10R1.10 CCNc1cn[nH]c(=O)c1 0f95cb81e0703d57c6cf0bc73d66c64b [0,0,1,0,0,0|2,0,1]=4 12 B10R1.10 O=c1cc(cn[nH]1)NCF 785d3946920fa0c7b46d043857e781c4 [0,0,1,0,0,0|2,0,1]=4 13 B10R1.10 O=c1cc(cn[nH]1)NCO 7ad7a0a18a49ff9394184afc75b335e2 [0,0,1,0,0,0|2,0,1]=4 14 B10R1.11 N#CNC(=O)c1ccco1 1adef430898af33746a6c9ec84528171 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.11 N#CNC(=O)c1cccs1 095e1c1f89cfea00e92ac1d8c8d62e1e [0,0,1,0,0,0|3,0,0]=4 16 B10R1.21 O=CCNCc1cc[nH]c1 7bd98127b6ed34fc346e296ba4f3f373 [0,0,1,0,0,0|1,0,2]=4 17 B10R1.21 O=CCOCc1cc[nH]c1 efe8feb7746260a5e0774b30b9119620 [0,0,1,0,0,0|2,0,1]=4 18 B10R1.21 O=CNCCc1ccsc1 40aeed6734dbe1c85d4189f6964d5072 [0,0,1,0,0,0|2,0,1]=4 19 B9R1.8 O=CNc1ccncc1 e7930a19a74453c18ec50a777f694607 [1,0,1,0,0,0|2,0,0]=4 20 B9R1.8 O=CNc1ccnnc1 c975d80dcdcbf9e971ef09ad97a634c5 [1,0,1,0,0,0|1,0,1]=4 21 B9R1.12 O=CNCc1ccoc1 2c2ecd250ae8d80c965c3936a532f64f [1,0,1,0,0,0|1,0,1]=4 22 B9R1.12 O=CNCc1ccsc1 71d20289537e24af987dd9a4d89d93c2 [1,0,1,0,0,0|1,0,1]=4 23 B11R1.17 C#CCNc1ccn[nH]c1=O 341c065f56e955d1c294374c5a2b4738 [0,1,1,0,0,0|0,0,2]=4 24 B11R1.17 C=CCNc1ccc[nH]c1=S 5a697643a68c4e94ec5d1725f6f420a6 [0,1,1,0,0,0|1,1,0]=4 25 B11R1.17 C=CCNc1ccn[nH]c1=O e16929494bab2be08eea9458b95e0d2d [0,1,1,0,0,0|0,0,0]=2 26 B11R1.17 C=CCNc1ccn[nH]c1=S 496a42290c8e38b6b937365e969aff67 [0,1,1,0,0,0|0,1,0]=3 27 B11R1.17 C=CCNc1ccncc1Br f9e0c1c5cc62a0b2e200edd15570132d [0,1,1,0,0,0|2,0,0]=4 28 B11R1.17 C=CCNc1ccncc1C a0ac03fc81e74951dcfe05ea827cddde [0,1,1,0,0,0|2,0,0]=4 29 B11R1.17 C=CCNc1ccncc1Cl eab326a3c3e70949eabb49e1d28a004c [0,1,1,0,0,0|2,0,0]=4 30 B11R1.17 C=CCNc1ccncc1F 8b4b44c2d443b59d4f91d80a325604f6 [0,1,1,0,0,0|2,0,0]=4 31 B11R1.17 C=CCNc1ccncc1I 1eba333e915ae39f3cf582b8a18c3e23 [0,1,1,0,0,0|2,0,0]=4 32 B11R1.17 C=CCNc1ccnnc1Br 80c918f41d47d41c33658616f4621449 [0,1,1,0,0,0|1,0,1]=4 33 B11R1.17 C=CCNc1ccnnc1C a754357759ce7d6784dac751ce328268 [0,1,1,0,0,0|1,0,1]=4 34 B11R1.17 C=CCNc1ccnnc1Cl 85171ccf2c1412619b27e7eff4471192 [0,1,1,0,0,0|1,0,1]=4 35 B11R1.17 CCCNc1ccn[nH]c1=O 07540669954455c9d389df0f3cdccba6 [0,1,1,0,0,0|0,0,2]=4 36 B11R1.17 COCNc1ccn[nH]c1=O bef90ea1833cb39f5bbc9618f30f6100 [0,1,1,0,0,0|0,0,2]=4 37 B11R1.17 CSCNc1ccn[nH]c1=O 5d477f04910a626b9966b18dd64ac645 [0,1,1,0,0,0|0,0,2]=4 38 B11R1.17 N#CCNc1ccn[nH]c1=O 8347f87803f1baf5d908ddee03ab9080 [0,1,1,0,0,0|0,0,2]=4 39 B11R1.17 O=CCNc1ccn[nH]c1=O f121b1a4ad200987448caf66d0be7bfa [0,1,1,0,0,0|0,0,1]=3 40 B11R1.17 O=CCNc1ccn[nH]c1=S ce96475a95af13d79ccf81253ada81f6 [0,1,1,0,0,0|0,1,1]=4 41 B11R1.17 O=c1[nH]nccc1NCCF 97f93037c015a94b96f2fc8fb1834bf2 [0,1,1,0,0,0|0,0,2]=4 42 B11R1.17 O=c1[nH]nccc1NCCO d948b8aedc2f71f7ff1be5eddb426c5a [0,1,1,0,0,0|0,0,2]=4 43 B11R1.17 O=c1[nH]nccc1NCCS 0e2c10bb6ac75135b38e4b2fbe08f311 [0,1,1,0,0,0|0,0,2]=4 44 B11R1.86 CC(C)Nc1ccn[nH]c1=O f24f9a4d91111db992940ec84b81a3fc [0,1,1,0,0,0|0,0,2]=4 45 B11R1.182 CCNc1cc(n[nH]c1=O)C 9dc37c07f7932732318ca813148b6e37 [0,1,1,0,0,0|0,0,2]=4 46 B11R1.182 CCNc1cc(n[nH]c1=O)Cl fff02516fe09bb56abe1ab2cb78c1dc1 [0,1,1,0,0,0|0,0,2]=4 47 B11R1.182 Cc1cc(c(=O)[nH]n1)NCF a556dfb66be9843b60bd767092b417d7 [0,1,1,0,0,0|1,0,1]=4 48 B11R1.182 Cc1cc(c(=O)[nH]n1)NCO a3dd1de071280a15d68095f397789392 [0,1,1,0,0,0|1,0,1]=4 49 B11R1.182 O=c1[nH]nc(cc1NCF)Cl b4749baa154a71001e9890a7b368e76b [0,1,1,0,0,0|1,0,1]=4 50 B11R1.182 O=c1[nH]nc(cc1NCO)Cl 66181018851524343ead2131f7f4139e [0,1,1,0,0,0|1,0,1]=4 51 B11R1.605 CCNc1c(cn[nH]c1=O)Cl 806e20f5aab6ee3568622133c9308b3c [0,1,1,0,0,0|0,0,2]=4 52 B11R1.605 O=c1[nH]ncc(c1NCF)Cl f3dca8ca66613076f220594fd99b585c [0,1,1,0,0,0|1,0,1]=4 53 B11R1.605 O=c1[nH]ncc(c1NCO)Cl c7c248946481f4f9e779ece7e438cb54 [0,1,1,0,0,0|1,0,1]=4 54 B11R1.24 C=CCNc1cn[nH]c(=O)c1 0b322cb46e5c27a85e970bd23521e122 [0,1,1,0,0,0|1,0,1]=4 55 B11R1.24 O=CCNc1cn[nH]c(=O)c1 8919d59246145747dbb4ce4ded7b5718 [0,1,1,0,0,0|1,0,1]=4 56 B11R1.192 Cn1ncc(cc1=O)NC=O 7a43a5824596c9af83b69fba3020b929 [0,1,1,0,0,0|2,0,0]=4 57 B11R1.199 Cn1cccc1C(=O)NC#N 76863ac99a17cb1d3c189a31b5f6a820 [0,1,1,0,0,0|2,0,0]=4 58 B13R2.292 CCNc1cncc2c1[nH]cc2 61d9184d96d6b1865638cef5ebb73b9a [0,2,0,0,0,0|2,0,0]=4 59 B13R2.292 FCNc1cncc2c1[nH]cc2 e5f509bed034f5b1cef7c121a96da92a [0,2,0,0,0,0|2,0,0]=4 60 B13R2.292 OCNc1cncc2c1[nH]cc2 9268ca541a3b0ea842bf00cad2375923 [0,2,0,0,0,0|1,0,1]=4 61 B11R2.2 c1c[nH]c(c1)c2ccno2 385c0f75f6e8a8e333c03581e00247bf [0,0,1,1,0,0|2,0,0]=4 62 B11R2.2 c1c[nH]c(c1)c2ccns2 e17a4971fdb2cfd71e9a45e9e3b3b1f3 [0,0,1,1,0,0|2,0,0]=4 63 B11R2.2 c1c[nH]c(c1)c2cncs2 7f5f014d6f5048861260434db721fa2c [0,0,1,1,0,0|1,1,0]=4 64 B11R2.2 c1c[nH]c(c1)c2ncc[nH]2 fcb9139118bec17964f2e93283d2f8b5 [0,0,1,1,0,0|2,0,0]=4 65 B11R2.2 c1c[nH]c(c1)c2ncns2 cbe10406c36c780c8ede3fe7d527a4d3 [0,0,1,1,0,0|2,0,0]=4 66 B11R2.2 c1c[nH]c(c1)c2nnco2 a47e28b8d7af4b696dd50576c18766a1 [0,0,1,1,0,0|0,0,2]=4 67 B11R2.2 c1c[nH]c(c1)c2nncs2 98cf13e9dae257501d750baba4d04ef4 [0,0,1,1,0,0|0,1,1]=4 68 B11R2.2 c1cc([nH]n1)c2ncc[nH]2 dc35ee3fbd2ccacf7372697b4a2ec2ed [0,0,1,1,0,0|2,0,0]=4 69 B8R1.8 O=CNc1ccsc1 0a6858906ba6a8fe50b8bca40778ed89 [2,0,1,0,0,0|1,0,0]=4 70 B10R1.17 C=CCNc1ccncc1 fc2828cd8f2e538daa95abd157d2f583 [1,1,1,0,0,0|1,0,0]=4 71 B10R1.17 C=CCNc1ccnnc1 6bef1192f9c3e8639df82d4b19db2693 [1,1,1,0,0,0|0,0,1]=4 72 B12R1.25 C=CCNc1cn[nH]c(=O)c1Cl e652b0ac5ec2735a6b199dcadddc6164 [0,2,1,0,0,0|1,0,0]=4 73 B12R1.25 C=CCOc1cn[nH]c(=O)c1Cl 8d35aea3ca768f9284e8846a924373f4 [0,2,1,0,0,0|1,0,0]=4 74 B12R1.121 C=CCNc1ccncc1C=O 4fc49ee5e1211939803129b1711a2b6a [0,2,1,0,0,0|1,0,0]=4 75 B12R1.125 C=C(Br)CNc1ccn[nH]c1=O c3656709b768ab509caf9fb6f7dcafb7 [0,2,1,0,0,0|0,0,0]=3 76 B12R1.125 C=C(Br)CNc1ccn[nH]c1=S b22c9fa3c22e99258742a852574d4679 [0,2,1,0,0,0|0,1,0]=4 77 B12R1.125 C=C(C)CNc1ccn[nH]c1=O 408f6f8e8ee62d2efcf9b62d6aa0c8dd [0,2,1,0,0,0|0,0,0]=3 78 B12R1.125 C=C(C)CNc1ccn[nH]c1=S 38b5f748c07d178adae71c38c1aad7b2 [0,2,1,0,0,0|0,1,0]=4 79 B12R1.125 C=C(Cl)CNc1ccn[nH]c1=O c28918634207627c27e81e1670146483 [0,2,1,0,0,0|0,0,0]=3 80 B12R1.125 C=C(Cl)CNc1ccn[nH]c1=S 5f0bae173e9ba512c5ff448c3f1677b0 [0,2,1,0,0,0|0,1,0]=4 81 B12R1.125 C=C(F)CNc1ccn[nH]c1=O bbd0f286c2e59f36113377d25c9b326b [0,2,1,0,0,0|0,0,0]=3 82 B12R1.125 C=C(F)CNc1ccn[nH]c1=S d9c4ac6c74b5b3b7e71deb1a7475c07a [0,2,1,0,0,0|0,1,0]=4 83 B12R1.125 NC(=O)CNc1ccn[nH]c1=O 75d53a1483d178d9458971d277dcd4a0 [0,2,1,0,0,0|0,0,1]=4 84 B12R1.125 O=C(O)CNc1ccn[nH]c1=O 81024147237cf90578973639f8558e93 [0,2,1,0,0,0|0,0,1]=4 85 B12R1.371 C=CC(C)Nc1ccc[nH]c1=O ecc9232d2808d33bf95fe8fec5f32ed1 [0,2,1,0,0,0|1,0,0]=4 86 B12R1.371 C=CC(C)Nc1ccn[nH]c1=O 4dc98dee3cd325a551fdab4a836a7ab9 [0,2,1,0,0,0|0,0,0]=3 87 B12R1.371 C=CC(C)Nc1ccn[nH]c1=S 36ce6ca90e5286a9636b4810b35a564c [0,2,1,0,0,0|0,1,0]=4 88 B12R1.371 CC(C=O)Nc1ccn[nH]c1=O f2787b8e69e904919bfb0c385c2d6cd5 [0,2,1,0,0,0|0,0,1]=4 89 B12R1.371 C[C@H](C=O)Nc1ccn[nH]c1=O 12fb267901ec6055d00081579a4b4e57 [0,2,1,0,0,0|0,0,1]=4 90 B12R1.374 C=CCNc1cc(n[nH]c1=O)C eb4a3a25dfeab9f234c6c7846dfd2f6f [0,2,1,0,0,0|0,0,0]=3 91 B12R1.374 C=CCNc1cc(n[nH]c1=O)Cl 2fa75ac4668d7dab82b4899071a32859 [0,2,1,0,0,0|0,0,0]=3 92 B12R1.374 Cc1cc(c(=O)[nH]n1)NCC=O b20d063523e42680caa6cdd90fabba74 [0,2,1,0,0,0|0,0,1]=4 93 B12R1.374 O=CCNc1cc(n[nH]c1=O)Cl b7597e847823a090147e15cc3ac533f5 [0,2,1,0,0,0|0,0,1]=4 94 B12R1.1631 C=CCNc1c(cc[nH]c1=O)F 636a17c3c6c238e70516c26b299c75c7 [0,2,1,0,0,0|1,0,0]=4 95 B12R1.1631 C=CCNc1c(cn[nH]c1=O)Cl 44883005d3f6e5e7d2ae29566de26248 [0,2,1,0,0,0|0,0,0]=3 96 B12R1.1631 O=CCNc1c(cn[nH]c1=O)Cl ae39a27d91eca4b4454c33df22f3ec28 [0,2,1,0,0,0|0,0,1]=4 97 B12R1.226 NC(=O)CNc1cn[nH]c(=O)c1 3fa3a3f895b38882642fbd29f569320b [0,2,1,0,0,0|0,0,1]=4 98 B14R2.892 O=CCNc1cncc2c1[nH]cc2 4c5d379c3ce21172d758a78ea3522cf1 [0,3,0,0,0,0|1,0,0]=4 99 B12R2.6 Nc1cc([nH]n1)c2ccc[nH]2 e94a909514be8fa7c44290e7554a88d0 [0,1,1,1,0,0|1,0,0]=4 100 B12R2.6 Nc1n[nH]c(n1)c2ccc[nH]2 db0b28234e6170261874432150144bb1 [0,1,1,1,0,0|1,0,0]=4 101 B12R2.10 Cn1nccc1c2ccc[nH]2 1f3cae8cdcca72a38b2cb944e4286c66 [0,1,1,1,0,0|1,0,0]=4 102 B12R2.10 Cn1ncnc1c2ccc[nH]2 a429defdf47890e3e571f019dfb2f272 [0,1,1,1,0,0|1,0,0]=4