0 B13R2.10 CC1CNC(C1)c2cccnc2 Molport-004-749-039 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.2 C1CC(CN1)c2cnccn2 Molport-019-954-506 [1,0,0,0,0,0|3,0,0]=4 2 B12R2.2 C1CC(CN1)c2cnccn2 Molport-042-668-493 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.2 C1CC(CN1)c2cncnc2 Molport-023-334-829 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.2 C1CC(CN1)c2cncnc2 Molport-049-242-305 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.2 C1CCC(C1)c2cccnc2 Molport-021-875-965 [1,0,0,0,0,0|1,0,1]=3 6 B12R2.2 C1CNC(C1)c2cnccn2 Molport-019-954-502 [1,0,0,0,0,0|1,0,1]=3 7 B12R2.2 C1CNC(C1)c2cnccn2 Molport-020-393-036 [1,0,0,0,0,0|1,0,1]=3 8 B12R2.2 C1CNC(C1)c2cnccn2 Molport-028-956-715 [1,0,0,0,0,0|1,0,1]=3 9 B12R2.2 C1CN[C@@H](C1)c2cnccn2 Molport-047-934-245 [1,0,0,0,0,0|1,0,1]=3 10 B12R2.2 C1CN[C@H](C1)c2cnccn2 Molport-047-934-244 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.45 CN(C)CCC(N)c1cccnc1 Molport-029-461-085 [0,1,1,0,0,0|2,0,0]=4 12 B13R2.12 Cc1ccc(cn1)C2CCCN2 Molport-003-849-027 [1,1,0,0,0,0|0,0,1]=3 13 B13R2.12 Cc1ccc(cn1)C2CCCN2 Molport-047-594-042 [1,1,0,0,0,0|0,0,1]=3 14 B13R2.12 Cc1ccc(cn1)C2CCNC2 Molport-039-240-020 [1,1,0,0,0,0|2,0,0]=4 15 B13R2.12 Cc1ccc(cn1)[C@H]2CCCN2 Molport-042-682-623 [1,1,0,0,0,0|0,0,1]=3 16 B13R2.12 Cc1ccc(cn1)[C@H]2CCCN2 Molport-047-920-876 [1,1,0,0,0,0|0,0,1]=3 17 B13R2.12 Cc1ccc(cn1)[C@H]2CCCN2 Molport-051-904-871 [1,1,0,0,0,0|0,0,1]=3 18 B13R2.12 Nc1ccc(cn1)C2CCCC2 Molport-021-802-187 [1,1,0,0,0,0|1,0,1]=4 19 B13R2.12 Oc1ccc(nn1)C2CCCN2 Molport-042-684-605 [1,1,0,0,0,0|1,0,1]=4 20 B13R2.13 Cc1cncc(c1)C2CCCN2 Molport-003-849-026 [1,1,0,0,0,0|0,0,1]=3 21 B13R2.13 Cc1cncc(c1)C2CCNC2 Molport-039-240-646 [1,1,0,0,0,0|2,0,0]=4 22 B13R2.13 Cc1cncc(n1)C2CCCN2 Molport-020-264-339 [1,1,0,0,0,0|1,0,1]=4 23 B13R2.15 CN1CCCC1c2cccnc2 Molport-003-849-363 [1,1,0,0,0,0|0,0,1]=3 24 B13R2.15 CN1CCCC1c2cccnc2 Molport-003-849-384 [1,1,0,0,0,0|0,0,1]=3 25 B13R2.15 CN1CCCC1c2cccnc2 Molport-035-395-827 [1,1,0,0,0,0|0,0,1]=3 26 B13R2.15 CN1CCC[C@@H]1c2cccnc2 Molport-003-849-369 [1,1,0,0,0,0|0,0,1]=3 27 B13R2.15 CN1CCC[C@@H]1c2cccnc2 Molport-035-813-689 [1,1,0,0,0,0|0,0,1]=3 28 B13R2.15 CN1CCC[C@H]1c2cccnc2 Molport-000-744-731 [1,1,0,0,0,0|0,0,1]=3 29 B13R2.15 CN1CCC[C@H]1c2cccnc2 Molport-039-140-306 [1,1,0,0,0,0|0,0,1]=3 30 B13R2.15 CN1CCC[C@H]1c2cccnc2 Molport-051-989-714 [1,1,0,0,0,0|0,0,1]=3 31 B13R2.15 OC1CCCC1c2cccnc2 Molport-013-883-273 [1,1,0,0,0,0|1,0,1]=4 32 B13R2.18 Cc1ccncc1C2CCNC2 Molport-022-151-903 [1,1,0,0,0,0|2,0,0]=4 33 B13R2.18 Cc1ncccc1C2CCCN2 Molport-003-849-025 [1,1,0,0,0,0|0,0,1]=3 34 B13R2.18 Cc1ncccc1C2CCCN2 Molport-047-776-780 [1,1,0,0,0,0|0,0,1]=3 35 B13R2.18 Cc1ncccc1[C@H]2CCCN2 Molport-047-920-901 [1,1,0,0,0,0|0,0,1]=3 36 B13R2.18 Cc1ncccc1[C@H]2CCCN2 Molport-047-920-902 [1,1,0,0,0,0|0,0,1]=3 37 B13R2.18 Cc1nccnc1C2CCCN2 Molport-020-264-340 [1,1,0,0,0,0|1,0,1]=4 38 B13R2.223 CC1(CCNC1)c2cccnc2 Molport-013-611-212 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.223 CC1(CCNC1)c2cccnc2 Molport-046-679-217 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.223 NC1(CCCC1)c2cccnc2 Molport-014-472-354 [1,1,0,0,0,0|1,0,1]=4 41 B13R2.11 Cc1cc(on1)[C@@H]2CCC(=O)N2 Molport-004-798-477 [0,1,0,0,1,0|1,0,0]=3 42 B13R2.11 Cc1nnc(o1)C2CCC(=O)N2 Molport-047-770-871 [0,1,0,0,1,0|2,0,0]=4 43 B13R2.11 Nc1nnc(s1)C2CCC(=O)N2 Molport-016-631-505 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.11 Sc1nnc(o1)C2CCC(=O)N2 Molport-035-926-323 [0,1,0,0,1,0|2,0,0]=4 45 B13R2.144 Cn1ccnc1C2CCC(=O)C2 Molport-021-277-730 [0,1,0,0,1,0|2,0,0]=4 46 B13R2.144 Cn1nccc1C2CCC(=O)C2 Molport-021-277-729 [0,1,0,0,1,0|2,0,0]=4 47 B15R2.96 OC1(CCC(=O)CC1)c2cncnc2 Molport-027-455-502 [0,1,0,0,0,1|2,0,0]=4 48 B11R2.2 C1CNC(C1)c2cc[nH]n2 Molport-020-263-886 [1,0,0,0,1,0|1,0,1]=4 49 B11R2.2 C1CNC(C1)c2ccc[nH]2 Molport-005-312-441 [1,0,0,0,1,0|0,0,2]=4 50 B11R2.2 C1CNC(C1)c2ccco2 Molport-001-758-863 [1,0,0,0,1,0|1,0,1]=4 51 B11R2.2 C1CNC(C1)c2ccco2 Molport-002-506-555 [1,0,0,0,1,0|1,0,1]=4 52 B11R2.2 C1CNC(C1)c2cccs2 Molport-000-147-157 [1,0,0,0,1,0|1,0,1]=4 53 B11R2.2 C1CNC(C1)c2ccn[nH]2 Molport-019-931-160 [1,0,0,0,1,0|1,0,1]=4 54 B11R2.2 C1CNC(C1)c2ccno2 Molport-046-416-642 [1,0,0,0,1,0|1,0,1]=4 55 B11R2.2 C1CNC(C1)c2ccon2 Molport-009-200-680 [1,0,0,0,1,0|1,0,1]=4 56 B11R2.2 C1CNC(C1)c2ccon2 Molport-019-931-180 [1,0,0,0,1,0|1,0,1]=4 57 B11R2.2 C1CNC(C1)c2ccsc2 Molport-004-320-503 [1,0,0,0,1,0|1,0,1]=4 58 B11R2.2 C1CNC(C1)c2cn[nH]c2 Molport-038-949-829 [1,0,0,0,1,0|1,0,1]=4 59 B11R2.2 C1CNC(C1)c2cnc[nH]2 Molport-051-774-965 [1,0,0,0,1,0|1,0,1]=4 60 B11R2.2 C1CNC(C1)c2cnco2 Molport-039-029-961 [1,0,0,0,1,0|1,0,1]=4 61 B11R2.2 C1CNC(C1)c2cscn2 Molport-022-907-886 [1,0,0,0,1,0|1,0,1]=4 62 B11R2.2 C1CNC(C1)c2cscn2 Molport-052-044-475 [1,0,0,0,1,0|1,0,1]=4 63 B11R2.2 C1CNC(C1)c2ncc[nH]2 Molport-027-845-189 [1,0,0,0,1,0|1,0,1]=4 64 B11R2.2 C1CNC(C1)c2ncco2 Molport-044-635-222 [1,0,0,0,1,0|1,0,1]=4 65 B11R2.2 C1CNC(C1)c2ncco2 Molport-051-774-141 [1,0,0,0,1,0|1,0,1]=4 66 B11R2.2 C1CNC(C1)c2nccs2 Molport-000-147-931 [1,0,0,0,1,0|1,0,1]=4 67 B11R2.2 C1CNC(C1)c2nccs2 Molport-046-150-267 [1,0,0,0,1,0|1,0,1]=4 68 B11R2.2 C1CN[C@@H](C1)c2ccn[nH]2 Molport-051-693-616 [1,0,0,0,1,0|1,0,1]=4 69 B11R2.2 C1CN[C@@H](C1)c2ccon2 Molport-046-147-421 [1,0,0,0,1,0|1,0,1]=4 70 B11R2.2 C1CN[C@H](C1)c2ccco2 Molport-028-664-153 [1,0,0,0,1,0|1,0,1]=4 71 B11R2.2 C1CN[C@H](C1)c2ccn[nH]2 Molport-051-693-629 [1,0,0,0,1,0|1,0,1]=4 72 B11R2.2 C1CN[C@H](C1)c2ccon2 Molport-046-147-435 [1,0,0,0,1,0|1,0,1]=4 73 B13R2.64 C(C1CCCN1)c2cccnc2 Molport-001-760-077 [1,0,0,0,0,1|0,0,1]=3 74 B13R2.64 C(C1CCCN1)c2cccnc2 Molport-001-794-070 [1,0,0,0,0,1|0,0,1]=3 75 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-001-760-294 [1,0,0,0,0,1|2,0,0]=4 76 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-001-778-574 [1,0,0,0,0,1|2,0,0]=4 77 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-020-264-399 [1,0,0,0,0,1|2,0,0]=4 78 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-039-029-855 [1,0,0,0,0,1|2,0,0]=4 79 B13R2.64 C1CCC(C1)Oc2cccnc2 Molport-004-782-993 [1,0,0,0,0,1|1,0,1]=4 80 B15R2.29 O=C1CCC(CC1)Cc2cccnc2 Molport-036-257-484 [0,0,0,0,0,2|1,0,0]=3