0 B13R2.1613 CNc1ncnc2c1cccc2 WXVL_AK00442LP0257 [0,1,0,0,0,0|2,0,0]=3 1 B13R2.1613 CNc1ncnc2c1cccc2 WXVL_AK00442LP0257 [0,1,0,0,0,0|2,0,0]=3 2 B13R2.1613 CNc1ncnc2c1ccnc2 WXVL_AK00442LP0471 [0,1,0,0,0,0|3,0,0]=4 3 B13R2.1613 CNc1ncnc2c1ccnc2 WXVL_AK00442LP0471 [0,1,0,0,0,0|3,0,0]=4 4 B13R2.1613 CNc1ncnc2c1nccc2 WXVL_AK00442LP0411 [0,1,0,0,0,0|3,0,0]=4 5 B13R2.1613 CNc1ncnc2c1nccc2 WXVL_AK00442LP0411 [0,1,0,0,0,0|3,0,0]=4 6 B12R1.30 C=CCNC(=O)c1ccccc1 WXVL_AK00561SD0001 [0,1,1,0,0,0|1,0,1]=4 7 B12R1.30 C=CCNC(=O)c1ccccc1 WXVL_AK00561SD0001 [0,1,1,0,0,0|1,0,1]=4 8 B12R1.125 NC(=O)C=Cc1ccccc1Br WXVL_AK0084SB3065 [0,1,1,0,0,0|2,0,0]=4 9 B12R1.125 NC(=O)C=Cc1ccccc1Br WXVL_AK0084SB3065 [0,1,1,0,0,0|2,0,0]=4 10 B12R1.226 NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0084SB1601 [0,1,1,0,0,0|2,0,0]=4 11 B12R1.226 NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0084SB1601 [0,1,1,0,0,0|2,0,0]=4 12 B12R1.226 NC(=O)C=Cc1cccc(c1)O WXVL_AK0084SB0417 [0,1,1,0,0,0|2,0,0]=4 13 B12R1.226 NC(=O)C=Cc1cccc(c1)O WXVL_AK0084SB0417 [0,1,1,0,0,0|2,0,0]=4 14 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [0,1,1,0,0,0|1,0,0]=3 15 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [0,1,1,0,0,0|1,0,0]=3 16 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [0,1,1,0,0,0|2,0,0]=4 17 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [0,1,1,0,0,0|2,0,0]=4 18 B12R1.32 C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0340 [0,1,1,0,0,0|1,0,0]=3 19 B12R1.32 C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0340 [0,1,1,0,0,0|1,0,0]=3 20 B12R1.32 C/C=C/C(=O)Nc1ccccn1 WXVL_AF00298SB0340 [0,1,1,0,0,0|2,0,0]=4 21 B12R1.32 C/C=C/C(=O)Nc1ccccn1 WXVL_AF00298SB0340 [0,1,1,0,0,0|2,0,0]=4 22 B14R2.11684 CNc1ncnc2c1cc(cc2)Br WXVL_AK00442LQ2091 [0,2,0,0,0,0|2,0,0]=4 23 B14R2.11684 CNc1ncnc2c1cc(cc2)Br WXVL_AK00442LQ2091 [0,2,0,0,0,0|2,0,0]=4 24 B14R2.11684 CNc1ncnc2c1cc(cc2)C WXVL_AK00442LP0622 [0,2,0,0,0,0|2,0,0]=4 25 B14R2.11684 CNc1ncnc2c1cc(cc2)C WXVL_AK00442LP0622 [0,2,0,0,0,0|2,0,0]=4 26 B14R2.11684 CNc1ncnc2c1cc(cc2)F WXVL_AK00442LP0380 [0,2,0,0,0,0|2,0,0]=4 27 B14R2.11684 CNc1ncnc2c1cc(cc2)F WXVL_AK00442LP0380 [0,2,0,0,0,0|2,0,0]=4 28 B14R2.11684 CNc1ncnc2c1cc(cc2)I WXVL_AK00442LP3352 [0,2,0,0,0,0|2,0,0]=4 29 B14R2.11684 CNc1ncnc2c1cc(cc2)I WXVL_AK00442LP3352 [0,2,0,0,0,0|2,0,0]=4 30 B14R2.1019 CNc1nc(c2ccccc2n1)C WXVL_AK00442LP0957 [0,2,0,0,0,0|2,0,0]=4 31 B14R2.1019 CNc1nc(c2ccccc2n1)C WXVL_AK00442LP0957 [0,2,0,0,0,0|2,0,0]=4 32 B14R2.1146 CNc1nc(nc2c1cccc2)C WXVL_AK00442LP0578 [0,2,0,0,0,0|2,0,0]=4 33 B14R2.1146 CNc1nc(nc2c1cccc2)C WXVL_AK00442LP0578 [0,2,0,0,0,0|2,0,0]=4 34 B14R2.1078 CNc1ncnc2c1cccc2Br WXVL_AK00442LQ2165 [0,2,0,0,0,0|2,0,0]=4 35 B14R2.1078 CNc1ncnc2c1cccc2Br WXVL_AK00442LQ2165 [0,2,0,0,0,0|2,0,0]=4 36 B14R2.1078 CNc1ncnc2c1cccc2C WXVL_AK00442LP0618 [0,2,0,0,0,0|2,0,0]=4 37 B14R2.1078 CNc1ncnc2c1cccc2C WXVL_AK00442LP0618 [0,2,0,0,0,0|2,0,0]=4 38 B14R2.1078 CNc1ncnc2c1cccc2F WXVL_AK00442LP0953 [0,2,0,0,0,0|2,0,0]=4 39 B14R2.1078 CNc1ncnc2c1cccc2F WXVL_AK00442LP0953 [0,2,0,0,0,0|2,0,0]=4 40 B14R2.1073 CNc1ncnc2c1ccc(c2)Br WXVL_AK00442LQ2479 [0,2,0,0,0,0|2,0,0]=4 41 B14R2.1073 CNc1ncnc2c1ccc(c2)Br WXVL_AK00442LQ2479 [0,2,0,0,0,0|2,0,0]=4 42 B14R2.1073 CNc1ncnc2c1ccc(c2)C WXVL_AK00442LP1016 [0,2,0,0,0,0|2,0,0]=4 43 B14R2.1073 CNc1ncnc2c1ccc(c2)C WXVL_AK00442LP1016 [0,2,0,0,0,0|2,0,0]=4 44 B14R2.1073 CNc1ncnc2c1ccc(c2)F WXVL_AK00442LP0376 [0,2,0,0,0,0|2,0,0]=4 45 B14R2.1073 CNc1ncnc2c1ccc(c2)F WXVL_AK00442LP0376 [0,2,0,0,0,0|2,0,0]=4 46 B14R2.7150 CCNc1ncnc2c1cccc2 WXVL_AK00476LP0257 [0,2,0,0,0,0|2,0,0]=4 47 B14R2.7150 CCNc1ncnc2c1cccc2 WXVL_AK00476LP0257 [0,2,0,0,0,0|2,0,0]=4 48 B14R2.11635 CNc1ncnc2c1c(ccc2)F WXVL_AK00442LP1408 [0,2,0,0,0,0|2,0,0]=4 49 B14R2.11635 CNc1ncnc2c1c(ccc2)F WXVL_AK00442LP1408 [0,2,0,0,0,0|2,0,0]=4 50 B14R2.31359 CN(C)c1ncnc2c1cccc2 WXVL_AN0032LP0257 [0,2,0,0,0,0|2,0,0]=4 51 B14R2.31359 CN(C)c1ncnc2c1cccc2 WXVL_AN0032LP0257 [0,2,0,0,0,0|2,0,0]=4 52 B14R2.31359 NC(=O)c1cccc2c1cccc2 WXVL_AK0084SE0011 [0,2,0,0,0,0|0,0,1]=3 53 B14R2.31359 NC(=O)c1cccc2c1cccc2 WXVL_AK0084SE0011 [0,2,0,0,0,0|0,0,1]=3 54 B14R2.31359 NC(=O)c1cccc2c1cccn2 WXVL_AK0084SE0021 [0,2,0,0,0,0|1,0,1]=4 55 B14R2.31359 NC(=O)c1cccc2c1cccn2 WXVL_AK0084SE0021 [0,2,0,0,0,0|1,0,1]=4 56 B14R2.31359 NC(=O)c1cccc2c1ccnc2 WXVL_AK0084SE0473 [0,2,0,0,0,0|1,0,1]=4 57 B14R2.31359 NC(=O)c1cccc2c1ccnc2 WXVL_AK0084SE0473 [0,2,0,0,0,0|1,0,1]=4 58 B14R2.31359 NC(=O)c1cccc2c1cncc2 WXVL_AK0084SE0721 [0,2,0,0,0,0|1,0,1]=4 59 B14R2.31359 NC(=O)c1cccc2c1cncc2 WXVL_AK0084SE0721 [0,2,0,0,0,0|1,0,1]=4 60 B14R2.31359 NC(=O)c1cccc2c1nccc2 WXVL_AK0084SE0023 [0,2,0,0,0,0|1,0,1]=4 61 B14R2.31359 NC(=O)c1cccc2c1nccc2 WXVL_AK0084SE0023 [0,2,0,0,0,0|1,0,1]=4 62 B14R2.31359 NC(=O)c1ccnc2c1cccc2 WXVL_AK0084SE0007 [0,2,0,0,0,0|1,0,1]=4 63 B14R2.31359 NC(=O)c1ccnc2c1cccc2 WXVL_AK0084SE0007 [0,2,0,0,0,0|1,0,1]=4 64 B14R2.31359 NC(=O)c1nccc2c1cccc2 WXVL_AK0084SE0008 [0,2,0,0,0,0|1,0,1]=4 65 B14R2.31359 NC(=O)c1nccc2c1cccc2 WXVL_AK0084SE0008 [0,2,0,0,0,0|1,0,1]=4 66 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT0919 [0,0,1,1,0,0|1,0,0]=3 67 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT1115 [0,0,1,1,0,0|1,0,0]=3 68 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT2957 [0,0,1,1,0,0|1,0,0]=3 69 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT0919 [0,0,1,1,0,0|2,0,0]=4 70 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT1115 [0,0,1,1,0,0|2,0,0]=4 71 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT2957 [0,0,1,1,0,0|2,0,0]=4 72 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT0919 [0,0,1,1,0,0|2,0,0]=4 73 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT1115 [0,0,1,1,0,0|2,0,0]=4 74 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT2957 [0,0,1,1,0,0|2,0,0]=4 75 B12R2.2 c1ccc(nc1)c2cccs2 WXVL_LR0498BT0164 [0,0,1,1,0,0|2,0,0]=4 76 B12R2.2 c1cncc(c1)c2cccs2 WXVL_LR0498BT1208 [0,0,1,1,0,0|2,0,0]=4 77 B12R2.2 c1cncc(c1)c2cccs2 WXVL_LR0498BT3912 [0,0,1,1,0,0|2,0,0]=4 78 B12R2.2 c1csc(c1)c2ccncc2 WXVL_LR0498BT0574 [0,0,1,1,0,0|2,0,0]=4