0 B15R3.3 C1=CC=C2C(=C1)C3=C(N2)C=CC=N3 PI-41240 [0,0,0,0,0,0|2,0,2]=4 1 B15R3.3 C1CCC2=C(C1)C3=CC=CC=C3N2 PI-27984 [0,0,0,0,0,0|1,0,0]=1 2 B15R3.3 C1CNCC2=C1NC3=CC=CC=C23 PI-12291 [0,0,0,0,0,0|0,0,0]=0 3 B15R3.3 C=12NC3=C(C1C=NC=C2)C=CC=C3 PI-39960 [0,0,0,0,0,0|0,0,4]=4 4 B15R3.3 N1CCc2c(C1)[nH]c3ccccc23 PI-27231 [0,0,0,0,0,0|2,0,0]=2 5 B15R3.3 c1ccc2c(c1)[nH]c3c2cccn3 PI-37910 [0,0,0,0,0,0|2,0,2]=4 6 B15R3.3 c1ccc2c(c1)[nH]c3c2ccnc3 PI-27390 [0,0,0,0,0,0|2,0,2]=4 7 B16R3.2583 C1CC2=C(CC1N)C3=CC=CC=C3N2 PI-44339 [0,1,0,0,0,0|1,0,0]=2 8 B16R3.2583 C1CC2=C(CC1N)C3=CC=CC=C3N2 PI-44340 [0,1,0,0,0,0|1,0,0]=2 9 B16R3.2583 C1CCC2=C(C1)C3=C(O2)C=CC(=C3)N PI-19517 [0,1,0,0,0,0|2,0,0]=3 10 B16R3.2583 N[C@@H]1CCC=2NC3=C(C=CC=C3)C2C1 PI-39601 [0,1,0,0,0,0|1,0,0]=2 11 B16R3.27838 C1CC2=C(C(=O)C1)C3=CC=CC=C3N2 PI-12621 [0,1,0,0,0,0|1,0,1]=3 12 B14R2.3 OCCCc1c[nH]c2ccccc12 PI-27516 [0,0,1,0,0,0|2,0,0]=3 13 B14R2.6 C1(OC2=CC=CC=C2)CCNCC1 PI-46634 [0,0,1,0,0,0|1,0,2]=4 14 B14R2.6 C1CCC(CC1)NC2=CC=CC=C2 PI-20913 [0,0,1,0,0,0|1,0,2]=4 15 B14R2.6 C1CN(CCN1)CC2=CC=CC=C2 PI-15789 [0,0,1,0,0,0|2,0,1]=4 16 B14R2.6 C1CN(CCN1)CC2=CC=CC=C2 PI-31476 [0,0,1,0,0,0|2,0,1]=4 17 B14R2.6 C1CNCCC1NC2=CC=CC=C2 PI-43210 [0,0,1,0,0,0|0,0,2]=3 18 B14R2.6 C1CNCCC1NC2=CC=CC=C2 PI-43346 [0,0,1,0,0,0|0,0,2]=3 19 B14R2.24 O=C1CCCCC1c2ccccc2 PI-30147 [0,0,1,0,0,0|2,0,1]=4 20 B14R2.67 C1=CC=C2C(=C1)NC(=N2)CCCBr PI-34793 [0,0,1,0,0,0|3,0,0]=4 21 B14R2.67 CCCCC1=CC2=CC=CC=C2O1 PI-22725 [0,0,1,0,0,0|2,0,0]=3 22 B14R2.67 CCCCC1=NC2=CC=CC=C2N1 PI-45293 [0,0,1,0,0,0|2,0,0]=3 23 B14R2.67 OCCCc1nc2c([nH]1)cccc2 PI-20856 [0,0,1,0,0,0|3,0,0]=4 24 B13R2.1 BrCCC1=CNC2=C1C=CC=C2 PI-47012 [1,0,1,0,0,0|1,0,0]=3 25 B13R2.1 C1=CC=C2C(=C1)C(=CN2)CCN PI-41908 [1,0,1,0,0,0|1,0,0]=3 26 B13R2.1 N#CCc1c[nH]c2ccccc12 PI-16170 [1,0,1,0,0,0|1,0,1]=4 27 B13R2.1 NCCc1c[nH]c2c1cccc2 PI-27794 [1,0,1,0,0,0|1,0,0]=3 28 B13R2.1 OCCc1c[nH]c2c1cccc2 PI-18625 [1,0,1,0,0,0|1,0,0]=3 29 B13R2.3 C1(C2=CC=CC=C2)=CCNCC1 PI-32093 [1,0,1,0,0,0|2,0,0]=4 30 B13R2.3 C1CNCC=C1C2=CC=CC=C2 PI-25561 [1,0,1,0,0,0|2,0,0]=4 31 B13R2.26 C1=CC=C2C(=C1)NC(=N2)CCBr PI-34791 [1,0,1,0,0,0|2,0,0]=4 32 B13R2.26 C1=CC=C2C(=C1)NC(=N2)CCN PI-45221 [1,0,1,0,0,0|1,0,0]=3 33 B13R2.26 CCCC1=NC2=CC=CC=C2N1 PI-45292 [1,0,1,0,0,0|1,0,0]=3 34 B13R2.26 ClCCC1=NC2=CC=CC=C2N1 PI-34792 [1,0,1,0,0,0|2,0,0]=4 35 B13R2.26 OCCc1nc2c([nH]1)cccc2 PI-11708 [1,0,1,0,0,0|2,0,0]=4 36 B13R2.135 CC1=C(C2=CC=CC=C2N1)C=O PI-10994 [1,0,1,0,0,0|1,0,1]=4 37 B13R2.135 CCN1C(=NC2=CC=CC=C21)C PI-32333 [1,0,1,0,0,0|1,0,1]=4 38 B15R2.4 COC(=O)Cc1c[nH]c2c1cccc2 PI-27296 [0,1,1,0,0,0|2,0,0]=4 39 B15R2.73 CCOC(=O)C1=CNC2=CC=CC=C21 PI-11088 [0,1,1,0,0,0|1,0,1]=4 40 B15R2.17719 CNCCC1=CNC2=C1C=C(C=C2)O PI-27215 [0,1,1,0,0,0|2,0,0]=4 41 B15R2.31 C1CC(=CC(=O)C1)NC2=CC=CC=C2 PI-17441 [0,1,1,0,0,0|1,0,1]=4 42 B15R2.38 C1CCC(=O)C(=CC2=CC=CC=C2)C1 PI-14178 [0,1,1,0,0,0|2,0,0]=4 43 B15R2.2203 CCCCCC1=NC2=CC=CC=C2N1 PI-45228 [0,1,1,0,0,0|2,0,0]=4 44 B15R2.2203 CCOCCC1=NC2=CC=CC=C2N1 PI-34747 [0,1,1,0,0,0|2,0,0]=4 45 B15R2.993 CC1=C(C2=CC=CC=C2N1)CN(C)C PI-27530 [0,1,1,0,0,0|0,0,0]=2 46 B15R2.11815 CC1=C2C(=CC=C1)C(=C(N2)C)CCN PI-23865 [0,1,1,0,0,0|2,0,0]=4 47 B17R3.35227 C1CCC2=NC3=CC=CC=C3C(=C2C1)Cl PI-13336 [0,1,0,0,0,1|1,0,1]=4 48 B17R3.35227 C1CCC2=NC3=CC=CC=C3C(=C2C1)N PI-17081 [0,1,0,0,0,1|1,0,1]=4 49 B17R3.35227 NC1=C2CCCCC2=NC3=CC=CC=C31 PI-13330 [0,1,0,0,0,1|1,0,1]=4 50 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 PI-27319 [0,2,0,0,0,0|2,0,0]=4 51 B17R3.4408 CN1C2=C(C(=O)CCC2)C3=CC=CC=C31 PI-16393 [0,2,0,0,0,0|1,0,1]=4 52 B13R2.15 C1CC(=O)N(C1)C2=CC=CC=C2 PI-13565 [0,0,1,0,1,0|2,0,0]=4