0 B14R2.19 C1=CC=C(C=C1)CC2=NN=C(O2)N PI-28371 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 PI-16646 [0,0,0,0,0,0|1,0,1]=2 2 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 PI-16647 [0,0,0,0,0,0|1,0,1]=2 3 B14R2.19 C1C(NC(=S)S1)CC2=CC=CC=C2 PI-16641 [0,0,0,0,0,0|1,1,1]=3 4 B14R2.19 C1CN(CC1N)CC2=CC=CC=C2 PI-16561 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.19 C1CN(CC1N)CC2=CC=CC=C2 PI-16583 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.19 C1CN(CC1N)CC2=CC=CC=C2 PI-28228 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.19 C1CN(CC1N)CC2=CC=CC=C2 PI-31049 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.19 C1CN(CC1N)CC2=CC=CC=C2 PI-31108 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.19 O=C1CCN(C1)Cc2ccccc2 PI-42677 [0,0,0,0,0,0|4,0,0]=4 10 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 PI-16270 [0,0,0,0,0,0|1,0,1]=2 11 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 PI-10266 [0,0,0,0,0,0|1,0,1]=2 12 B14R2.19 S=C1SC[C@@H](CC2=CC=CC=C2)N1 PI-16642 [0,0,0,0,0,0|1,1,1]=3 13 B13R2.64 C1=CC=C(C=C1)CN2C=CC=N2 PI-35474 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.64 C1C=CCN1CC2=CC=CC=C2 PI-40179 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N PI-10520 [0,1,0,0,0,0|1,0,1]=3 16 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N PI-42010 [0,1,0,0,0,0|1,0,1]=3 17 B15R2.325 C1=CC=C(C=C1)CC2C(=O)OC(=O)N2 PI-28159 [0,1,0,0,0,0|1,0,2]=4 18 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O PI-44029 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.337 C1=CC=C(C=C1)CCCNC(=S)N PI-19984 [0,0,1,0,0,0|2,0,0]=3 20 B13R1.337 C1=CC=C(C=C1)CCCOC(=O)N PI-15744 [0,0,1,0,0,0|1,0,0]=2 21 B13R1.337 C1=CC=C(C=C1)OCCOC(=O)Cl PI-42238 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.348 OC(=O)C[C@@H](N)Cc1ccccc1 PI-13008 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.348 OC(=O)C[C@H](N)Cc1ccccc1 PI-13007 [0,0,1,0,0,0|3,0,0]=4 24 B13R1.718 COC(=O)CCNC1=CC=CC=C1 PI-35472 [0,0,1,0,0,0|3,0,0]=4 25 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-36062 [0,0,1,0,0,0|3,0,0]=4 26 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-48770 [0,0,1,0,0,0|3,0,0]=4 27 B13R1.718 COC(=O)COCC1=CC=CC=C1 PI-50530 [0,0,1,0,0,0|3,0,0]=4 28 B15R3.2009 C1C2C(C3=CC=CC=C31)NC(=O)O2 PI-42022 [0,0,0,1,0,0|3,0,0]=4 29 B15R3.2009 C1C2C(C3=CC=CC=C31)NC(=O)O2 PI-42023 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.10 C1=CC=C(C=C1)C2=NC(=NS2)N PI-11904 [0,0,0,0,1,0|2,0,1]=4 31 B13R2.10 C1=CC=C(C=C1)C2=NSC(=N2)N PI-30216 [0,0,0,0,1,0|1,1,1]=4 32 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [0,0,0,0,1,0|1,0,1]=3 33 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 PI-10344 [0,0,0,0,1,0|1,0,1]=3 34 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 PI-16639 [0,0,0,0,1,0|1,1,1]=4 35 B13R2.10 C1CN(N=C1N)C2=CC=CC=C2 PI-30482 [0,0,0,0,1,0|2,0,0]=3 36 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 PI-30093 [0,0,0,0,1,0|2,0,1]=4 37 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [0,0,0,0,1,0|3,0,0]=4 38 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [0,0,0,0,1,0|1,0,1]=3 39 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 PI-16645 [0,0,0,0,1,0|1,0,1]=3 40 B13R2.10 S=C1SC[C@H](N1)c2ccccc2 PI-16640 [0,0,0,0,1,0|1,1,1]=4 41 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 PI-46663 [0,0,0,0,1,0|3,0,0]=4 42 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [1,0,1,0,0,0|0,0,2]=4 43 B12R1.118 OCC(CO)Cc1ccccc1 PI-24129 [1,0,1,0,0,0|1,0,1]=4 44 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [1,0,1,0,0,0|1,0,1]=4 45 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [1,0,1,0,0,0|2,0,0]=4 46 B14R1.13 COC(=O)CCCc1ccc(cc1)N PI-18321 [0,1,1,0,0,0|2,0,0]=4 47 B16R2.40 C1C(NC(=O)O1)CC2=CC=C(C=C2)NN PI-22847 [0,2,0,0,0,0|1,0,1]=4 48 B16R2.40 C1C(NC(=O)O1)CC2=CC=C(C=C2)NN PI-33673 [0,2,0,0,0,0|1,0,1]=4 49 B16R2.2903 CC1(C(NC(=O)O1)CC2=CC=CC=C2)C PI-42028 [0,2,0,0,0,0|1,0,1]=4 50 B16R2.2903 CC1(C(NC(=O)O1)CC2=CC=CC=C2)C PI-42029 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,0,1,0,1,0|1,0,1]=4 52 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,0,1,0,1,0|1,0,1]=4 53 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,0,1,0,1,0|2,0,0]=4 54 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,0,1,0,1,0|2,0,0]=4 55 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,0,1,0,1,0|2,0,0]=4 56 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,0,1,0,1,0|2,0,0]=4 57 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,0,1,0,1,0|2,0,0]=4 58 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,0,1,0,1,0|2,0,0]=4 59 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,0,1,0,1,0|2,0,0]=4 60 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,0,1,0,1,0|2,0,0]=4 61 B12R2.2 C1CC(N=C1)C2=CN=CC=C2 PI-44326 [1,0,0,0,1,0|2,0,0]=4