0 B12R2.2 C1CC(CN1)c2cnccn2 Molport-019-954-506 [0,0,0,1,0,0|2,0,0]=3 1 B12R2.2 C1CC(CN1)c2cnccn2 Molport-042-668-493 [0,0,0,1,0,0|2,0,0]=3 2 B12R2.2 C1CC(CN1)c2cncnc2 Molport-023-334-829 [0,0,0,1,0,0|2,0,0]=3 3 B12R2.2 C1CC(CN1)c2cncnc2 Molport-049-242-305 [0,0,0,1,0,0|2,0,0]=3 4 B12R2.2 C1CC(CN1)c2ncccn2 Molport-044-626-102 [0,0,0,1,0,0|2,0,0]=3 5 B12R2.2 C1CCC(C1)c2cccnc2 Molport-021-875-965 [0,0,0,1,0,0|2,0,0]=3 6 B12R2.1081 CC1CCCc2c1cccn2 Molport-044-558-473 [0,0,0,1,0,0|2,0,0]=3 7 B12R2.1081 CC1CNCc2c1ncnc2 Molport-044-422-365 [0,0,0,1,0,0|2,0,0]=3 8 B10R1.11 CNCC(C)c1nccs1 Molport-008-643-964 [0,0,0,0,1,0|2,0,0]=3 9 B11R1.7 CC(C)(CN)c1cnccn1 Molport-008-512-880 [1,1,0,0,0,0|2,0,0]=4 10 B11R1.40 CNC(C)Cc1cnccn1 Molport-004-853-294 [1,1,0,0,0,0|2,0,0]=4 11 B11R1.91 CN(C)CCc1cnccn1 Molport-003-913-390 [1,1,0,0,0,0|2,0,0]=4 12 B11R1.91 CN(C)CCc1cnccn1 Molport-042-666-213 [1,1,0,0,0,0|2,0,0]=4 13 B13R1.44 CCCCN(C)Cc1ccccc1 Molport-046-845-361 [0,1,0,0,0,1|2,0,0]=4 14 B13R1.29 CCCC(C)(C)c1ccc(cc1)O Molport-047-359-159 [0,2,0,0,0,0|1,0,0]=3 15 B13R1.45 CN(C)CCC(N)c1cccnc1 Molport-029-461-085 [0,2,0,0,0,0|2,0,0]=4 16 B13R1.45 CN(C)CCC(O)c1cccnc1 Molport-002-875-427 [0,2,0,0,0,0|2,0,0]=4 17 B13R1.122 CNCCC(C)(C)c1ccccc1 Molport-051-781-179 [0,2,0,0,0,0|0,0,0]=2 18 B13R1.263 CCC(C)(C)C(N)c1ccccc1 Molport-046-837-972 [0,2,0,0,0,0|2,0,0]=4 19 B13R1.347 CC(N)CC(C)(C)c1ccccc1 Molport-003-737-831 [0,2,0,0,0,0|1,0,0]=3 20 B13R1.347 CC(N)CC(C)(C)c1ccccc1 Molport-016-583-351 [0,2,0,0,0,0|1,0,0]=3 21 B13R1.347 CC(O)CC(C)(C)c1ccccc1 Molport-001-798-291 [0,2,0,0,0,0|1,0,0]=3 22 B11R2.1 CC1CCc2c1nccn2 Molport-003-960-089 [1,0,0,1,0,0|2,0,0]=4 23 B11R2.2 C1CC(CN1)c2c[nH]cn2 Molport-028-956-672 [0,0,0,1,1,0|2,0,0]=4 24 B11R2.2 C1CC(CN1)c2cc[nH]n2 Molport-020-264-345 [0,0,0,1,1,0|2,0,0]=4 25 B11R2.2 C1CC(CN1)c2cc[nH]n2 Molport-029-998-163 [0,0,0,1,1,0|2,0,0]=4 26 B11R2.2 C1CC(CN1)c2ccco2 Molport-008-510-374 [0,0,0,1,1,0|1,0,0]=3 27 B11R2.2 C1CC(CN1)c2ccco2 Molport-009-200-838 [0,0,0,1,1,0|1,0,0]=3 28 B11R2.2 C1CC(CN1)c2cccs2 Molport-046-832-026 [0,0,0,1,1,0|1,0,0]=3 29 B11R2.2 C1CC(CN1)c2ccn[nH]2 Molport-044-770-047 [0,0,0,1,1,0|2,0,0]=4 30 B11R2.2 C1CC(CN1)c2ccno2 Molport-046-530-710 [0,0,0,1,1,0|2,0,0]=4 31 B11R2.2 C1CC(CN1)c2ccon2 Molport-022-469-042 [0,0,0,1,1,0|2,0,0]=4 32 B11R2.2 C1CC(CN1)c2ccon2 Molport-046-141-474 [0,0,0,1,1,0|2,0,0]=4 33 B11R2.2 C1CC(CN1)c2ccsc2 Molport-022-466-122 [0,0,0,1,1,0|1,0,0]=3 34 B11R2.2 C1CC(CN1)c2cn[nH]c2 Molport-051-773-516 [0,0,0,1,1,0|2,0,0]=4 35 B11R2.2 C1CC(CN1)c2cscn2 Molport-051-766-765 [0,0,0,1,1,0|2,0,0]=4 36 B11R2.2 C1CC(CN1)c2ncc[nH]2 Molport-042-605-473 [0,0,0,1,1,0|2,0,0]=4 37 B11R2.2 C1CC(CN1)c2ncco2 Molport-051-773-152 [0,0,0,1,1,0|2,0,0]=4 38 B11R2.2 C1CC(CN1)c2nccs2 Molport-022-465-889 [0,0,0,1,1,0|2,0,0]=4 39 B11R2.2 C1CC(CN1)c2nccs2 Molport-039-070-831 [0,0,0,1,1,0|2,0,0]=4 40 B11R2.2 C1CC(CN1)c2nccs2 Molport-051-739-045 [0,0,0,1,1,0|2,0,0]=4 41 B11R2.2 C1CC(CN1)n2cccc2 Molport-039-241-799 [0,0,0,1,1,0|1,0,0]=3 42 B11R2.2 C1CC(CN1)n2ccnc2 Molport-013-582-161 [0,0,0,1,1,0|2,0,0]=4 43 B11R2.2 C1CC(CN1)n2ccnc2 Molport-028-956-702 [0,0,0,1,1,0|2,0,0]=4 44 B11R2.106 CC1CNCc2c1n[nH]c2 Molport-044-198-565 [0,0,0,1,1,0|2,0,0]=4 45 B11R2.106 CC1CNCc2n1ncc2 Molport-029-095-327 [0,0,0,1,1,0|2,0,0]=4 46 B11R2.106 C[C@@H]1CNCc2n1ccc2 Molport-046-419-817 [0,0,0,1,1,0|1,0,0]=3 47 B11R2.106 C[C@H]1CNCc2n1ccc2 Molport-046-419-522 [0,0,0,1,1,0|1,0,0]=3 48 B11R2.106 C[C@H]1CNCc2n1ncc2 Molport-047-977-206 [0,0,0,1,1,0|2,0,0]=4 49 B13R2.64 C(C1CCNC1)c2ccccn2 Molport-020-264-393 [0,0,0,1,0,1|1,0,0]=3 50 B13R2.64 C(C1CCNC1)c2ccccn2 Molport-020-393-034 [0,0,0,1,0,1|1,0,0]=3 51 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-001-760-294 [0,0,0,1,0,1|1,0,0]=3 52 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-001-778-574 [0,0,0,1,0,1|1,0,0]=3 53 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-020-264-399 [0,0,0,1,0,1|1,0,0]=3 54 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-039-029-855 [0,0,0,1,0,1|1,0,0]=3 55 B13R2.64 C(C1CCNC1)c2ccncc2 Molport-020-264-592 [0,0,0,1,0,1|1,0,0]=3 56 B13R2.64 C(C1CCNC1)c2cnccn2 Molport-046-201-894 [0,0,0,1,0,1|2,0,0]=4 57 B13R2.64 C(C1CCNC1)c2ncccn2 Molport-020-264-410 [0,0,0,1,0,1|2,0,0]=4 58 B13R2.64 C1CC(CN1)Nc2cccnn2 Molport-039-029-903 [0,0,0,1,0,1|2,0,0]=4 59 B13R2.64 C1CC(CN1)Nc2ccncn2 Molport-013-631-118 [0,0,0,1,0,1|2,0,0]=4 60 B13R2.64 C1CC(CN1)Nc2ncccn2 Molport-013-631-072 [0,0,0,1,0,1|2,0,0]=4 61 B13R2.64 C1CC(CN1)Nc2ncccn2 Molport-039-029-905 [0,0,0,1,0,1|2,0,0]=4 62 B13R2.64 C1CC(CN1)Oc2cnccn2 Molport-039-028-246 [0,0,0,1,0,1|2,0,0]=4 63 B13R2.64 C1CC(CN1)Oc2ncccn2 Molport-013-598-889 [0,0,0,1,0,1|2,0,0]=4 64 B13R2.64 C1CC(CN1)Oc2ncccn2 Molport-035-782-674 [0,0,0,1,0,1|2,0,0]=4 65 B13R2.64 C1CC(CN1)Oc2ncccn2 Molport-051-766-771 [0,0,0,1,0,1|2,0,0]=4 66 B13R2.64 C1CC(CN1)Sc2ncccn2 Molport-013-582-296 [0,0,0,1,0,1|2,0,0]=4 67 B13R2.64 C1CCC(C1)Nc2ccccn2 Molport-005-167-517 [0,0,0,1,0,1|2,0,0]=4 68 B13R2.64 C1CCC(C1)Nc2ccncc2 Molport-005-175-954 [0,0,0,1,0,1|2,0,0]=4 69 B13R2.64 C1CCC(C1)Oc2cccnc2 Molport-004-782-993 [0,0,0,1,0,1|2,0,0]=4 70 B13R2.64 C1C[C@H](CN1)Nc2ncccn2 Molport-035-768-729 [0,0,0,1,0,1|2,0,0]=4 71 B13R2.3 C1CC(CCN1)c2cnccn2 Molport-020-745-794 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.3 C1CC(CCN1)c2cnccn2 Molport-028-951-653 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.3 C1CCC(CC1)c2ccccc2 Molport-001-780-039 [0,1,0,1,0,0|1,0,0]=3 74 B13R2.3 C1CCC(CC1)c2ccncc2 Molport-000-165-731 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.3 C1CCC(CC1)c2ccncc2 Molport-038-949-300 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.3 C1CNCC(C1)c2cnccn2 Molport-020-264-010 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.3 C1COC(CN1)c2cnccn2 Molport-051-666-560 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.10 CC1CNC(C1)c2cccnc2 Molport-004-749-039 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.10 OC1CCC(C1)c2ccccn2 Molport-023-047-085 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.1613 CNC1CCCc2c1cncc2 Molport-029-758-516 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.1613 CNC1CCCc2c1cncc2 Molport-051-913-019 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.1613 CNC1CCCc2c1nccc2 Molport-026-972-652 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.1613 CN[C@@H]1CCCc2c1nccc2 Molport-047-933-935 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.1613 CN[C@@H]1CCCc2c1nccc2 Molport-047-933-936 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.1613 CN[C@H]1CCCc2c1nccc2 Molport-046-160-694 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.1613 CN[C@H]1CCCc2c1nccc2 Molport-051-487-886 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.1613 NCC1CCCc2c1nccc2 Molport-027-636-423 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.1613 OCC1CCCc2c1nccc2 Molport-027-636-426 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.12 Cc1ccc(cc1)C2CCCC2 Molport-004-889-882 [0,1,0,1,0,0|1,0,0]=3 90 B13R2.12 Cc1ccc(cn1)C2CCNC2 Molport-039-240-020 [0,1,0,1,0,0|1,0,0]=3 91 B13R2.12 Cc1ccc(nc1)C2CCNC2 Molport-039-240-024 [0,1,0,1,0,0|1,0,0]=3 92 B13R2.12 Nc1ccc(cn1)C2CCCC2 Molport-021-802-187 [0,1,0,1,0,0|2,0,0]=4 93 B13R2.147 CN1CC(C1)c2cnc(cn2)Br Molport-051-794-931 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.13 Cc1cccc(n1)C2CCNC2 Molport-039-240-219 [0,1,0,1,0,0|1,0,0]=3 95 B13R2.13 Cc1ccnc(c1)C2CCNC2 Molport-039-240-595 [0,1,0,1,0,0|1,0,0]=3 96 B13R2.13 Cc1ccnc(n1)C2CCNC2 Molport-051-666-274 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.13 Cc1cncc(c1)C2CCNC2 Molport-039-240-646 [0,1,0,1,0,0|1,0,0]=3 98 B13R2.13 Cc1nccc(n1)C2CCNC2 Molport-020-264-306 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.13 Nc1nccc(n1)C2CCNC2 Molport-020-264-575 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.13 O=c1ccnc([nH]1)C2CCNC2 Molport-029-007-196 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.342 CC1CCCc2c1cccc2C Molport-003-935-934 [0,1,0,1,0,0|1,0,0]=3 102 B13R2.223 CC1(CCNC1)c2cccnc2 Molport-013-611-212 [0,1,0,1,0,0|1,0,0]=3 103 B13R2.223 CC1(CCNC1)c2cccnc2 Molport-046-679-217 [0,1,0,1,0,0|1,0,0]=3 104 B13R2.223 NC1(CCCC1)c2ccccn2 Molport-042-681-208 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.223 NC1(CCCC1)c2ccccn2 Molport-051-903-134 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.223 NC1(CCCC1)c2cccnc2 Molport-014-472-354 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.223 OC1(CCCC1)c2ccccn2 Molport-021-879-640 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.5252 CC1NCCCc2c1cccn2 Molport-046-508-345 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.18 Cc1cccnc1C2CCNC2 Molport-047-106-941 [0,1,0,1,0,0|1,0,0]=3 110 B13R2.18 Cc1ccncc1C2CCNC2 Molport-022-151-903 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.11 CC(CN)c1c[nH]cn1 Molport-044-623-395 [1,0,0,0,1,0|2,0,0]=4 112 B9R1.11 CC(CN)c1ncc[nH]1 Molport-046-141-617 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.11 CC(CN)c1nccs1 Molport-003-738-588 [1,0,0,0,1,0|2,0,0]=4 114 B9R1.11 CC(CN)n1ccnc1 Molport-029-997-433 [1,0,0,0,1,0|2,0,0]=4 115 B9R1.11 CCC(C)c1nccs1 Molport-005-940-407 [1,0,0,0,1,0|2,0,0]=4 116 B9R1.11 CC[C@H](C)c1nccs1 Molport-051-570-647 [1,0,0,0,1,0|2,0,0]=4 117 B9R1.11 CNC(C)c1cscn1 Molport-006-829-027 [1,0,0,0,1,0|2,0,0]=4 118 B9R1.11 CNC(C)c1nccs1 Molport-004-812-619 [1,0,0,0,1,0|2,0,0]=4 119 B9R1.11 CNC(C)c1nccs1 Molport-047-777-595 [1,0,0,0,1,0|2,0,0]=4 120 B9R1.12 CNCCc1c[nH]cn1 Molport-003-983-643 [1,0,0,0,1,0|2,0,0]=4 121 B9R1.12 CNCCc1cnc[nH]1 Molport-028-912-982 [1,0,0,0,1,0|2,0,0]=4 122 B9R1.12 CNCCc1cnc[nH]1 Molport-051-864-481 [1,0,0,0,1,0|2,0,0]=4