0 B15R3.3 C1=CC2=C(C=C1)C3=C(CCNC3)N2 SC-02317 [0,0,0,0,0,0|0,0,0]=0 1 B15R3.3 C1=CC2=C(C=C1)C3=C(CCNC3)N2 SC-05813 [0,0,0,0,0,0|0,0,0]=0 2 B15R3.3 C1=CC2=C(C=C1)C3=C(CNCC3)N2 SC-83788 [0,0,0,0,0,0|2,0,0]=2 3 B15R3.3 C1=CN=C2NC3=C(C=CC=C3)C2=C1 SC-90862 [0,0,0,0,0,0|2,0,2]=4 4 B16R3.2583 N[C@@H]1CCC2=C(C1)C3=C(C=CC=C3)N2 SC-27975 [0,1,0,0,0,0|1,0,0]=2 5 B16R3.27838 O=C1CCCC2=C1C3=C(C=CC=C3)N2 SC-01277 [0,1,0,0,0,0|1,0,1]=3 6 B14R2.3 NNCCC1=CNC2=CC=CC=C12 SC-59031 [0,0,1,0,0,0|3,0,0]=4 7 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 SC-42250 [0,0,1,0,0,0|2,0,0]=3 8 B14R2.6 C1=CC=C(CC2CCNCC2)C=C1 SC-03336 [0,0,1,0,0,0|1,0,2]=4 9 B14R2.6 C1=CC=C(NC2CCNCC2)C=C1 SC-53771 [0,0,1,0,0,0|0,0,2]=3 10 B14R2.24 O=C1CCCCC1C2=CC=CC=C2 SC-49209 [0,0,1,0,0,0|2,0,1]=4 11 B14R2.67 CCCCC1=CC2=CC=CC=C2O1 SC-17544 [0,0,1,0,0,0|2,0,0]=3 12 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 SC-96776 [0,0,1,0,0,0|2,0,0]=3 13 B14R3.49 C1=CC2=C(C=C1)N3CCNC3=N2 SC-A3299 [0,0,0,0,1,0|2,0,1]=4 14 B16R3.1722 C1=CC2=C(C=C1)C3=C(CCNCC3)N2 SC-14325 [0,0,0,0,0,1|0,0,0]=1 15 B13R2.1 BrCCC1=CNC2=CC=CC=C12 SC-22808 [1,0,1,0,0,0|1,0,0]=3 16 B13R2.1 ClCCC1=CNC2=C1C=CC=C2 SC-48667 [1,0,1,0,0,0|1,0,0]=3 17 B13R2.1 N#CCC1=CNC2=C1C=CC=C2 SC-46672 [1,0,1,0,0,0|1,0,1]=4 18 B13R2.1 NCCC1=CNC2=C1C=CN=C2 SC-89600 [1,0,1,0,0,0|2,0,0]=4 19 B13R2.1 NCCC1=CNC2=C1C=NC=C2 SC-65602 [1,0,1,0,0,0|2,0,0]=4 20 B13R2.1 NCCC1=CNC2=CC=CC=C12 SC-05762 [1,0,1,0,0,0|1,0,0]=3 21 B13R2.1 NCCC1=COC2=CC=CC=C12 SC-13723 [1,0,1,0,0,0|2,0,0]=4 22 B13R2.1 OCCC1=CNC2=C1C=CC=C2 SC-21882 [1,0,1,0,0,0|1,0,0]=3 23 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 SC-93522 [1,0,1,0,0,0|2,0,0]=4 24 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 SC-81796 [1,0,1,0,0,0|0,0,2]=4 25 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 SC-35598 [1,0,1,0,0,0|1,0,1]=4 26 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 SC-88837 [1,0,1,0,0,0|1,0,1]=4 27 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 SC-89983 [1,0,1,0,0,0|1,0,1]=4 28 B13R2.3 C1=CC=C([C@@H]2CCCNC2)C=C1 SC-24124 [1,0,1,0,0,0|0,0,2]=4 29 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 SC-84130 [1,0,1,0,0,0|1,0,1]=4 30 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 SC-23713 [1,0,1,0,0,0|0,0,2]=4 31 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 SC-A4945 [1,0,1,0,0,0|0,0,2]=4 32 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 SC-27880 [1,0,1,0,0,0|1,0,0]=3 33 B13R2.26 CCCC1=NC2=CC=CC=C2N1 SC-64932 [1,0,1,0,0,0|1,0,0]=3 34 B13R2.26 COCC1=NC2=CC=CC=C2N1 SC-64934 [1,0,1,0,0,0|2,0,0]=4 35 B13R2.26 NCCC1=NC2=CC=CC=C2N1 SC-04733 [1,0,1,0,0,0|1,0,0]=3 36 B13R2.26 NNCC1=CC2=CC=CC=C2O1 SC-59025 [1,0,1,0,0,0|2,0,0]=4 37 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 SC-49535 [1,0,1,0,0,0|1,0,1]=4 38 B13R2.135 OCC1=C(Cl)NC2=C1C=CC=C2 SC-42447 [1,0,1,0,0,0|2,0,0]=4 39 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 SC-32036 [0,1,1,0,0,0|2,0,0]=4 40 B15R2.4 [C@@H](N)(CO)CC1=CNC2=CC=CC=C12 SC-09003 [0,1,1,0,0,0|2,0,0]=4 41 B15R2.5 O=CCCCC1=CNC2=C1C=CC=C2 SC-42182 [0,1,1,0,0,0|1,0,1]=4 42 B15R2.5 OCCCCC1=CNC2=C1C=CC=C2 SC-42280 [0,1,1,0,0,0|1,0,0]=3 43 B15R2.73 CCCC(=O)C1=CNC2=C1C=CC=C2 SC-63762 [0,1,1,0,0,0|1,0,1]=4 44 B15R2.73 CCOC(=O)C1=CNC2=C1C=CC=C2 SC-06759 [0,1,1,0,0,0|1,0,1]=4 45 B15R2.17719 BrCCCC1=CNC2=C1C=C(Br)C=C2 SC-62942 [0,1,1,0,0,0|2,0,0]=4 46 B15R2.17719 ClCCCC1=CNC2=C1C=C(Br)C=C2 SC-65068 [0,1,1,0,0,0|2,0,0]=4 47 B15R2.17719 NCCCC1=CNC2=C1C=C(Br)C=C2 SC-73846 [0,1,1,0,0,0|2,0,0]=4 48 B15R2.17719 OCCCC1=CNC2=C1C=C(Br)C=C2 SC-62941 [0,1,1,0,0,0|2,0,0]=4 49 B15R2.29 CN1CCC(NC2=CC=CC=C2)CC1 SC-53087 [0,1,1,0,0,0|0,0,2]=4 50 B15R2.38 O=C1CNCCN1CC2=CC=CC=C2 SC-25459 [0,1,1,0,0,0|2,0,0]=4 51 B15R2.38 O=C1CNCCN1CC2=CC=CC=C2 SC-27034 [0,1,1,0,0,0|2,0,0]=4 52 B15R2.21 COC1=C(C2=CCCCC2)C=CC=C1 SC-38175 [0,1,1,0,0,0|2,0,0]=4 53 B15R2.2203 CNCCCC1=NC2=CC=CC=C2N1 SC-A2899 [0,1,1,0,0,0|1,0,0]=3 54 B15R2.993 CC1=C(CC(=O)O)C2=C(C=CC=C2)N1 SC-66032 [0,1,1,0,0,0|2,0,0]=4 55 B15R2.993 CC1=C(CN(C)C)C2=C(C=CC=C2)N1 SC-21424 [0,1,1,0,0,0|0,0,0]=2 56 B15R2.19393 COC(=O)C1=C(C)NC2=C1C=CC=C2 SC-A4729 [0,1,1,0,0,0|1,0,1]=4 57 B15R2.4190 CC(C)C1=C(C=O)C2=C(C=CC=C2)N1 SC-52874 [0,1,1,0,0,0|1,0,1]=4 58 B17R3.35227 ClC1=C2CCCCC2=NC3=CC=CC=C31 SC-17083 [0,1,0,0,0,1|1,0,1]=4 59 B17R3.35227 NC1=C2CCCCC2=NC3=CC=CC=C31 SC-90047 [0,1,0,0,0,1|1,0,1]=4 60 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 SC-99859 [0,2,0,0,0,0|2,0,0]=4 61 B17R3.51120 O=C1CCCC2=C1NC3=C2C=CC=C3Br SC-94156 [0,2,0,0,0,0|1,0,1]=4 62 B17R3.4408 CN1C2=CC=CC=C2C3=C1CCNC3=O SC-22227 [0,2,0,0,0,0|0,0,1]=3 63 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 SC-50777 [0,0,1,0,1,0|1,0,1]=4 64 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 SC-A5450 [0,0,1,0,1,0|1,0,1]=4 65 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 SC-36627 [0,0,1,0,1,0|1,0,1]=4 66 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 SC-61531 [0,0,1,0,1,0|1,0,1]=4 67 B13R2.15 O=C1CCCC1C2=CC=CC=C2 SC-36875 [0,0,1,0,1,0|1,0,1]=4 68 B13R2.18 BrC1=CC=CC=C1C2CCNC2 SC-42036 [0,0,1,0,1,0|1,0,1]=4 69 B13R2.18 ClC1=CC=CC=C1C2CCNC2 SC-41700 [0,0,1,0,1,0|1,0,1]=4 70 B13R2.18 FC1=CC=CC=C1C2CCNC2 SC-53384 [0,0,1,0,1,0|1,0,1]=4 71 B13R2.18 NC1=CC=CC=C1C2=NNC=C2 SC-72515 [0,0,1,0,1,0|1,0,1]=4 72 B15R2.4392 CC1=NC2=CC=CC=C2C(CNN)=C1 SC-59974 [0,0,1,0,0,1|1,0,1]=4 73 B15R2.2115 COC1=CC=C2C=CC=CC2=C1CN SC-59180 [0,0,1,0,0,1|2,0,0]=4