0 B17R2.2159 CCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00476SB0076 [0,0,1,0,0,0|1,0,0]=2 1 B17R2.2159 CCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00476SB0076 [0,0,1,0,0,0|1,0,0]=2 2 B17R2.2159 CCNC(=O)Cc1ccc2ncccc2c1 WXVL_AK00476SB1185 [0,0,1,0,0,0|2,0,0]=3 3 B17R2.2159 CCNC(=O)Cc1ccc2ncccc2c1 WXVL_AK00476SB1185 [0,0,1,0,0,0|2,0,0]=3 4 B17R2.2159 CCNC(=O)Nc1ccc2ccccc2c1 WXVL_AK00476YV0121 [0,0,1,0,0,0|2,0,0]=3 5 B17R2.2159 CCNC(=O)Nc1ccc2ccccc2c1 WXVL_AK00476YV0121 [0,0,1,0,0,0|2,0,0]=3 6 B17R3.1917 c1ccc2cc(ccc2c1)c3ccon3 WXVL_LR0685BT1105 [0,0,0,0,1,0|2,0,1]=4 7 B17R3.1917 c1ccc2cc(ccc2c1)c3ccon3 WXVL_LR0685BT1734 [0,0,0,0,1,0|2,0,1]=4 8 B17R3.1917 c1ccc2cc(ccc2c1)c3ccon3 WXVL_LR0685BT9386 [0,0,0,0,1,0|2,0,1]=4 9 B17R3.1917 c1ccc2cc(ccc2c1)c3cn[nH]n3 WXVL_LR0395BT1105 [0,0,0,0,1,0|3,0,0]=4 10 B17R3.1917 c1ccc2cc(ccc2c1)c3cn[nH]n3 WXVL_LR0395BT1734 [0,0,0,0,1,0|3,0,0]=4 11 B17R3.1917 c1ccc2cc(ccc2c1)c3cn[nH]n3 WXVL_LR0395BT9386 [0,0,0,0,1,0|3,0,0]=4 12 B17R3.1917 c1ccc2cc(ccc2c1)c3cnc[nH]3 WXVL_LR0418BT1105 [0,0,0,0,1,0|2,0,1]=4 13 B17R3.1917 c1ccc2cc(ccc2c1)c3cnc[nH]3 WXVL_LR0418BT1734 [0,0,0,0,1,0|2,0,1]=4 14 B17R3.1917 c1ccc2cc(ccc2c1)c3cnc[nH]3 WXVL_LR0418BT9386 [0,0,0,0,1,0|2,0,1]=4 15 B17R3.1917 c1ccc2cc(ccc2c1)c3nc[nH]n3 WXVL_LR0419BT1105 [0,0,0,0,1,0|1,0,2]=4 16 B17R3.1917 c1ccc2cc(ccc2c1)c3nc[nH]n3 WXVL_LR0419BT1734 [0,0,0,0,1,0|1,0,2]=4 17 B17R3.1917 c1ccc2cc(ccc2c1)c3nc[nH]n3 WXVL_LR0419BT9386 [0,0,0,0,1,0|1,0,2]=4 18 B17R3.1917 c1ccc2cc(ccc2c1)c3ncns3 WXVL_LR0623BT1105 [0,0,0,0,1,0|2,0,1]=4 19 B17R3.1917 c1ccc2cc(ccc2c1)c3ncns3 WXVL_LR0623BT1734 [0,0,0,0,1,0|2,0,1]=4 20 B17R3.1917 c1ccc2cc(ccc2c1)c3ncns3 WXVL_LR0623BT9386 [0,0,0,0,1,0|2,0,1]=4 21 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00442SB0076 [1,0,1,0,0,0|1,0,0]=3 22 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00442SB0076 [1,0,1,0,0,0|1,0,0]=3 23 B16R2.5347 CNC(=O)Cc1ccc2ncccc2c1 WXVL_AK00442SB1185 [1,0,1,0,0,0|2,0,0]=4 24 B16R2.5347 CNC(=O)Cc1ccc2ncccc2c1 WXVL_AK00442SB1185 [1,0,1,0,0,0|2,0,0]=4 25 B16R2.5347 CNC(=O)Nc1ccc2ccccc2c1 WXVL_AK00442YV0121 [1,0,1,0,0,0|2,0,0]=4 26 B16R2.5347 CNC(=O)Nc1ccc2ccccc2c1 WXVL_AK00442YV0121 [1,0,1,0,0,0|2,0,0]=4 27 B18R2.2032 CCNC(=O)Cc1ccc2ncc(cc2c1)Br WXVL_AK00476SB9271 [0,1,1,0,0,0|2,0,0]=4 28 B18R2.2032 CCNC(=O)Cc1ccc2ncc(cc2c1)Br WXVL_AK00476SB9271 [0,1,1,0,0,0|2,0,0]=4 29 B18R2.33945 C=CCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00561SB0076 [0,1,1,0,0,0|1,0,1]=4 30 B18R2.33945 C=CCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00561SB0076 [0,1,1,0,0,0|1,0,1]=4 31 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00504SB0076 [0,1,1,0,0,0|1,0,0]=3 32 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00504SB0076 [0,1,1,0,0,0|1,0,0]=3 33 B18R2.33945 CCCNC(=O)Cc1ccc2ncccc2c1 WXVL_AK00504SB1185 [0,1,1,0,0,0|2,0,0]=4 34 B18R2.33945 CCCNC(=O)Cc1ccc2ncccc2c1 WXVL_AK00504SB1185 [0,1,1,0,0,0|2,0,0]=4 35 B18R2.33945 CCCNC(=O)Nc1ccc2ccccc2c1 WXVL_AK00504YV0121 [0,1,1,0,0,0|2,0,0]=4 36 B18R2.33945 CCCNC(=O)Nc1ccc2ccccc2c1 WXVL_AK00504YV0121 [0,1,1,0,0,0|2,0,0]=4 37 B18R2.33945 N#CCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK0683SB0076 [0,1,1,0,0,0|1,0,1]=4 38 B18R2.33945 N#CCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK0683SB0076 [0,1,1,0,0,0|1,0,1]=4 39 B18R2.33945 O=C(Cc1ccc2ccccc2c1)NCCF WXVL_AK00466SB0076 [0,1,1,0,0,0|1,0,0]=3 40 B18R2.33945 O=C(Cc1ccc2ccccc2c1)NCCF WXVL_AK00466SB0076 [0,1,1,0,0,0|1,0,0]=3 41 B18R2.33945 O=C(Cc1ccc2ncccc2c1)NCCF WXVL_AK00466SB1185 [0,1,1,0,0,0|2,0,0]=4 42 B18R2.33945 O=C(Cc1ccc2ncccc2c1)NCCF WXVL_AK00466SB1185 [0,1,1,0,0,0|2,0,0]=4 43 B18R2.33945 O=C(NCCF)Nc1ccc2ccccc2c1 WXVL_AK00466YV0121 [0,1,1,0,0,0|2,0,0]=4 44 B18R2.33945 O=C(NCCF)Nc1ccc2ccccc2c1 WXVL_AK00466YV0121 [0,1,1,0,0,0|2,0,0]=4 45 B18R2.71948 CC(C)NC(=O)Cc1ccc2ccccc2c1 WXVL_AK0030SB0076 [0,1,1,0,0,0|1,0,0]=3 46 B18R2.71948 CC(C)NC(=O)Cc1ccc2ccccc2c1 WXVL_AK0030SB0076 [0,1,1,0,0,0|1,0,0]=3 47 B18R2.71948 CC(C)NC(=O)Cc1ccc2ncccc2c1 WXVL_AK0030SB1185 [0,1,1,0,0,0|2,0,0]=4 48 B18R2.71948 CC(C)NC(=O)Cc1ccc2ncccc2c1 WXVL_AK0030SB1185 [0,1,1,0,0,0|2,0,0]=4 49 B18R2.71948 CC(C)NC(=O)Nc1ccc2ccccc2c1 WXVL_AK0030YV0121 [0,1,1,0,0,0|2,0,0]=4 50 B18R2.71948 CC(C)NC(=O)Nc1ccc2ccccc2c1 WXVL_AK0030YV0121 [0,1,1,0,0,0|2,0,0]=4 51 B18R2.124774 CCNC(=O)Cc1cc2cccnc2cc1F WXVL_AK00476SB4700 [0,1,1,0,0,0|2,0,0]=4 52 B18R2.124774 CCNC(=O)Cc1cc2cccnc2cc1F WXVL_AK00476SB4700 [0,1,1,0,0,0|2,0,0]=4 53 B18R3.2942 Cc1cnc([nH]1)c2ccc3ccccc3c2 WXVL_LR1156BT1105 [0,1,0,0,1,0|0,0,2]=4 54 B18R3.2942 Cc1cnc([nH]1)c2ccc3ccccc3c2 WXVL_LR1156BT1734 [0,1,0,0,1,0|0,0,2]=4 55 B18R3.2942 Cc1cnc([nH]1)c2ccc3ccccc3c2 WXVL_LR1156BT9386 [0,1,0,0,1,0|0,0,2]=4 56 B18R3.3824 Cn1cnnc1c2ccc3ccccc3c2 WXVL_LR1200BT1105 [0,1,0,0,1,0|1,0,1]=4 57 B18R3.3824 Cn1cnnc1c2ccc3ccccc3c2 WXVL_LR1200BT1734 [0,1,0,0,1,0|1,0,1]=4 58 B18R3.3824 Cn1cnnc1c2ccc3ccccc3c2 WXVL_LR1200BT9386 [0,1,0,0,1,0|1,0,1]=4 59 B18R3.3824 Cn1ncnc1c2ccc3ccccc3c2 WXVL_LR0640BT1105 [0,1,0,0,1,0|1,0,1]=4 60 B18R3.3824 Cn1ncnc1c2ccc3ccccc3c2 WXVL_LR0640BT1734 [0,1,0,0,1,0|1,0,1]=4 61 B18R3.3824 Cn1ncnc1c2ccc3ccccc3c2 WXVL_LR0640BT9386 [0,1,0,0,1,0|1,0,1]=4 62 B18R3.17797 C=Cc1ccccc1c2cnc3n2CCC3 WXVL_LR0654BT1736 [0,0,1,1,0,0|2,0,0]=4 63 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK00476SA00109 [0,0,1,0,1,0|2,0,0]=4 64 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK00476SA00109 [0,0,1,0,1,0|2,0,0]=4 65 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 WXVL_AK00476SB1466 [0,0,1,0,1,0|2,0,0]=4 66 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 WXVL_AK00476SB1466 [0,0,1,0,1,0|2,0,0]=4 67 B16R2.734 CCNC(=O)Cc1cc2ccccc2s1 WXVL_AK00476SB3591 [0,0,1,0,1,0|2,0,0]=4 68 B16R2.734 CCNC(=O)Cc1cc2ccccc2s1 WXVL_AK00476SB3591 [0,0,1,0,1,0|2,0,0]=4 69 B16R2.767 CCNC(=O)c1cc2ccccc2cn1 WXVL_AK00476SE0464 [0,0,1,0,1,0|2,0,0]=4 70 B16R2.767 CCNC(=O)c1cc2ccccc2cn1 WXVL_AK00476SE0464 [0,0,1,0,1,0|2,0,0]=4 71 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 WXVL_AK00476SE0013 [0,0,1,0,1,0|1,0,0]=3 72 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 WXVL_AK00476SE0013 [0,0,1,0,1,0|1,0,0]=3 73 B16R2.767 CCNC(=O)c1ccc2ccccc2n1 WXVL_AK00476SE0005 [0,0,1,0,1,0|2,0,0]=4 74 B16R2.767 CCNC(=O)c1ccc2ccccc2n1 WXVL_AK00476SE0005 [0,0,1,0,1,0|2,0,0]=4 75 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 WXVL_AK00476SE0111 [0,0,1,0,1,0|2,0,0]=4 76 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 WXVL_AK00476SE0111 [0,0,1,0,1,0|2,0,0]=4 77 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 WXVL_AK00476SE0986 [0,0,1,0,1,0|2,0,0]=4 78 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 WXVL_AK00476SE0986 [0,0,1,0,1,0|2,0,0]=4 79 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 WXVL_AK00476SE0116 [0,0,1,0,1,0|2,0,0]=4 80 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 WXVL_AK00476SE0116 [0,0,1,0,1,0|2,0,0]=4 81 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 WXVL_AK00476SE0022 [0,0,1,0,1,0|2,0,0]=4 82 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 WXVL_AK00476SE0022 [0,0,1,0,1,0|2,0,0]=4 83 B16R2.767 CCNC(=O)c1cnc2ccccc2c1 WXVL_AK00476SE0006 [0,0,1,0,1,0|2,0,0]=4 84 B16R2.767 CCNC(=O)c1cnc2ccccc2c1 WXVL_AK00476SE0006 [0,0,1,0,1,0|2,0,0]=4 85 B16R2.2151 CCNC(=O)Cc1ccc2cc[nH]c2c1 WXVL_AK00476SB3114 [0,0,1,0,1,0|2,0,0]=4 86 B16R2.2151 CCNC(=O)Cc1ccc2cc[nH]c2c1 WXVL_AK00476SB3114 [0,0,1,0,1,0|2,0,0]=4