0 B18R3.12875 C1=CC(CCC1)Sc2nc3ccccc3s2 62a_100000751183_100000751744 [0,0,0,0,0,0|2,0,2]=4 1 B18R3.12875 C1=CCN(CC1)Cc2cc3ccccc3s2 270004a_100000698166_100000686906 [0,0,0,0,0,0|3,0,1]=4 2 B18R3.12875 C1=CCN(CC1)Cc2nc3ccccc3[nH]2 2230a_100000698166_100000737899 [0,0,0,0,0,0|3,0,1]=4 3 B18R3.12875 C1=CCN(CC1)Cc2nc3ccccc3[nH]2 269982a_100000698166_100000737899 [0,0,0,0,0,0|3,0,1]=4 4 B18R3.12875 C1=CCN(CC1)Cc2nc3ccccc3[nH]2 270004a_100000698166_100000185668 [0,0,0,0,0,0|3,0,1]=4 5 B18R3.12875 C1=CCN(CC1)Cc2nc3ccccc3o2 2230a_100000698166_100000195508 [0,0,0,0,0,0|2,1,1]=4 6 B18R3.12875 C1=CCN(CC1)Cc2nc3ccccc3o2 34a_100000698166_200012361514 [0,0,0,0,0,0|2,1,1]=4 7 B18R3.12875 C1=CCN(CC1)Cc2nc3ccccc3s2 2230a_100000698166_100000766747 [0,0,0,0,0,0|2,0,1]=3 8 B18R3.12875 C1=CCN(CC1)Cc2nc3ccccc3s2 269982a_100000698166_100011217541 [0,0,0,0,0,0|2,0,1]=3 9 B18R3.12875 C1=CCN(CC1)Cc2nc3ccccc3s2 270004a_100000698166_100011204187 [0,0,0,0,0,0|2,0,1]=3 10 B18R3.12875 C1=CCN(CC1)Cc2nc3ccccc3s2 34a_100000698166_100011217541 [0,0,0,0,0,0|2,0,1]=3 11 B18R3.12875 c1cc2cc([nH]c2cn1)CN3CCOCC3 270004a_100015191051_200000084276 [0,0,0,0,0,0|3,0,1]=4 12 B18R3.12875 c1cc2oc(cc2cn1)CN3CCOCC3 270004a_100015191051_100009860033 [0,0,0,0,0,0|3,1,0]=4 13 B18R3.12875 c1cc2sc(cc2cn1)CN3CCOCC3 270004a_100015191051_100000054438 [0,0,0,0,0,0|3,0,0]=3 14 B18R3.12875 c1cc2sc(cc2cn1)CN3CCSCC3 270004a_100000737611_100000054438 [0,0,0,0,0,0|3,1,0]=4 15 B18R3.12875 c1ccc2[nH]c(cc2c1)CN3CCOCC3 270004a_100015191051_100000051030 [0,0,0,0,0,0|2,0,1]=3 16 B18R3.12875 c1ccc2[nH]c(cc2c1)CN3CCSCC3 270004a_100000737611_100000051030 [0,0,0,0,0,0|2,1,1]=4 17 B18R3.12875 c1ccc2[nH]c(cc2c1)SC3CCCCC3 62a_100000210327_100010232065 [0,0,0,0,0,0|3,0,1]=4 18 B18R3.12875 c1ccc2[nH]c(nc2c1)CN3CCCOC3 2230a_100000131196_100000737899 [0,0,0,0,0,0|4,0,0]=4 19 B18R3.12875 c1ccc2[nH]c(nc2c1)CN3CCCOC3 269982a_100000131196_100000737899 [0,0,0,0,0,0|4,0,0]=4 20 B18R3.12875 c1ccc2[nH]c(nc2c1)CN3CCCOC3 270004a_100000131196_100000185668 [0,0,0,0,0,0|4,0,0]=4 21 B18R3.12875 c1ccc2[nH]c(nc2c1)CN3CCOCC3 2230a_100015191051_100000737899 [0,0,0,0,0,0|2,0,0]=2 22 B18R3.12875 c1ccc2[nH]c(nc2c1)CN3CCOCC3 269982a_100015191051_100000737899 [0,0,0,0,0,0|2,0,0]=2 23 B18R3.12875 c1ccc2[nH]c(nc2c1)CN3CCOCC3 270004a_100015191051_100000185668 [0,0,0,0,0,0|2,0,0]=2 24 B18R3.12875 c1ccc2[nH]c(nc2c1)CN3CCSCC3 2230a_100000737611_100000737899 [0,0,0,0,0,0|2,1,0]=3 25 B18R3.12875 c1ccc2[nH]c(nc2c1)CN3CCSCC3 269982a_100000737611_100000737899 [0,0,0,0,0,0|2,1,0]=3 26 B18R3.12875 c1ccc2[nH]c(nc2c1)CN3CCSCC3 270004a_100000737611_100000185668 [0,0,0,0,0,0|2,1,0]=3 27 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCCCC3 27a_100000182618_100009814255 [0,0,0,0,0,0|4,0,0]=4 28 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCOCC3 27a_100000741149_100009814255 [0,0,0,0,0,0|3,0,0]=3 29 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCSCC3 27a_100000748639_100009814255 [0,0,0,0,0,0|3,1,0]=4 30 B18R3.12875 c1ccc2[nH]c(nc2c1)SC3CCCCC3 62a_100000210327_100009814255 [0,0,0,0,0,0|3,0,0]=3 31 B18R3.12875 c1ccc2oc(cc2c1)CN3CCOCC3 270004a_100015191051_100000229944 [0,0,0,0,0,0|2,1,0]=3 32 B18R3.12875 c1ccc2oc(cc2c1)CN3CCSCC3 270004a_100000737611_100000229944 [0,0,0,0,0,0|2,2,0]=4 33 B18R3.12875 c1ccc2oc(cc2c1)SC3CCCCC3 62a_100000210327_100010159458 [0,0,0,0,0,0|3,1,0]=4 34 B18R3.12875 c1ccc2oc(nc2c1)CN3CCCOC3 2230a_100000131196_100000195508 [0,0,0,0,0,0|3,1,0]=4 35 B18R3.12875 c1ccc2oc(nc2c1)CN3CCCOC3 34a_100000131196_200012361514 [0,0,0,0,0,0|3,1,0]=4 36 B18R3.12875 c1ccc2oc(nc2c1)CN3CCOCC3 2230a_100015191051_100000195508 [0,0,0,0,0,0|1,1,0]=2 37 B18R3.12875 c1ccc2oc(nc2c1)CN3CCOCC3 34a_100015191051_200012361514 [0,0,0,0,0,0|1,1,0]=2 38 B18R3.12875 c1ccc2oc(nc2c1)CN3CCSCC3 2230a_100000737611_100000195508 [0,0,0,0,0,0|1,2,0]=3 39 B18R3.12875 c1ccc2sc(cc2c1)CN3CCCOC3 270004a_100000131196_100000686906 [0,0,0,0,0,0|4,0,0]=4 40 B18R3.12875 c1ccc2sc(cc2c1)CN3CCOCC3 270004a_100015191051_100000686906 [0,0,0,0,0,0|2,0,0]=2 41 B18R3.12875 c1ccc2sc(cc2c1)CN3CCSCC3 270004a_100000737611_100000686906 [0,0,0,0,0,0|2,1,0]=3 42 B18R3.12875 c1ccc2sc(cc2c1)SC3CCCCC3 62a_100000210327_100009816949 [0,0,0,0,0,0|3,0,0]=3 43 B18R3.12875 c1ccc2sc(nc2c1)CN3CCCOC3 2230a_100000131196_100000766747 [0,0,0,0,0,0|3,0,0]=3 44 B18R3.12875 c1ccc2sc(nc2c1)CN3CCCOC3 269982a_100000131196_100011217541 [0,0,0,0,0,0|3,0,0]=3 45 B18R3.12875 c1ccc2sc(nc2c1)CN3CCCOC3 270004a_100000131196_100011204187 [0,0,0,0,0,0|3,0,0]=3 46 B18R3.12875 c1ccc2sc(nc2c1)CN3CCCOC3 34a_100000131196_100011217541 [0,0,0,0,0,0|3,0,0]=3 47 B18R3.12875 c1ccc2sc(nc2c1)CN3CCOCC3 2230a_100015191051_100000766747 [0,0,0,0,0,0|1,0,0]=1 48 B18R3.12875 c1ccc2sc(nc2c1)CN3CCOCC3 269982a_100015191051_100011217541 [0,0,0,0,0,0|1,0,0]=1 49 B18R3.12875 c1ccc2sc(nc2c1)CN3CCOCC3 270004a_100015191051_100011204187 [0,0,0,0,0,0|1,0,0]=1 50 B18R3.12875 c1ccc2sc(nc2c1)CN3CCOCC3 34a_100015191051_100011217541 [0,0,0,0,0,0|1,0,0]=1 51 B18R3.12875 c1ccc2sc(nc2c1)CN3CCSCC3 2230a_100000737611_100000766747 [0,0,0,0,0,0|1,1,0]=2 52 B18R3.12875 c1ccc2sc(nc2c1)CN3CCSCC3 269982a_100000737611_100011217541 [0,0,0,0,0,0|1,1,0]=2 53 B18R3.12875 c1ccc2sc(nc2c1)CN3CCSCC3 270004a_100000737611_100011204187 [0,0,0,0,0,0|1,1,0]=2 54 B18R3.12875 c1ccc2sc(nc2c1)NC3CCCCC3 27a_100000182618_100000751744 [0,0,0,0,0,0|3,0,0]=3 55 B18R3.12875 c1ccc2sc(nc2c1)NC3CCCOC3 27a_100000719290_100000751744 [0,0,0,0,0,0|4,0,0]=4 56 B18R3.12875 c1ccc2sc(nc2c1)NC3CCOCC3 27a_100000741149_100000751744 [0,0,0,0,0,0|2,0,0]=2 57 B18R3.12875 c1ccc2sc(nc2c1)NC3CCSCC3 27a_100000748639_100000751744 [0,0,0,0,0,0|2,1,0]=3 58 B18R3.12875 c1ccc2sc(nc2c1)SC3CCCCC3 62a_100000210327_100000751744 [0,0,0,0,0,0|2,0,0]=2 59 B18R3.12875 c1ccn2cc(nc2c1)CN3CCOCC3 2230a_100015191051_100000689847 [0,0,0,0,0,0|3,0,0]=3 60 B18R3.12875 c1ccn2cc(nc2c1)CN3CCOCC3 269982a_100015191051_100000689847 [0,0,0,0,0,0|3,0,0]=3 61 B18R3.12875 c1ccn2cc(nc2c1)CN3CCOCC3 34a_100015191051_100000689847 [0,0,0,0,0,0|3,0,0]=3 62 B18R3.12875 c1ccn2cc(nc2c1)CN3CCSCC3 2230a_100000737611_100000689847 [0,0,0,0,0,0|3,1,0]=4 63 B18R3.12875 c1ccn2cc(nc2c1)CN3CCSCC3 269982a_100000737611_100000689847 [0,0,0,0,0,0|3,1,0]=4 64 B18R3.12875 c1ccn2cc(nc2c1)SC3CCCCC3 62a_100000210327_100009819586 [0,0,0,0,0,0|4,0,0]=4 65 B18R3.12875 c1cn2cc(nc2cn1)CN3CCOCC3 2230a_100015191051_100000089004 [0,0,0,0,0,0|4,0,0]=4 66 B18R3.12875 c1cn2cc(nc2cn1)CN3CCOCC3 269982a_100015191051_100000089004 [0,0,0,0,0,0|4,0,0]=4 67 B18R3.12875 c1cn2nc(nc2cn1)SC3CCOCC3 62a_100010748104_100011324220 [0,0,0,0,0,0|4,0,0]=4 68 B18R3.12875 c1cnc2[nH]c(cc2c1)CN3CCOCC3 270004a_100015191051_100000088027 [0,0,0,0,0,0|3,0,1]=4 69 B18R3.12875 c1cnc2[nH]c(nc2c1)CN3CCOCC3 2230a_100015191051_100011549802 [0,0,0,0,0,0|3,0,0]=3 70 B18R3.12875 c1cnc2[nH]c(nc2c1)CN3CCSCC3 2230a_100000737611_100011549802 [0,0,0,0,0,0|3,1,0]=4 71 B18R3.12875 c1cnc2cc(oc2c1)CN3CCOCC3 270004a_100015191051_100000104172 [0,0,0,0,0,0|3,1,0]=4 72 B18R3.12875 c1cnc2nc(oc2c1)CN3CCOCC3 2230a_100015191051_100000696355 [0,0,0,0,0,0|2,1,0]=3 73 B18R3.12875 c1cnc2nc(oc2c1)CN3CCSCC3 2230a_100000737611_100000696355 [0,0,0,0,0,0|2,2,0]=4 74 B18R3.12875 c1cnc2sc(cc2c1)CN3CCOCC3 270004a_100015191051_100000050461 [0,0,0,0,0,0|3,0,0]=3 75 B18R3.12875 c1cnc2sc(cc2c1)CN3CCSCC3 270004a_100000737611_100000050461 [0,0,0,0,0,0|3,1,0]=4 76 B18R3.12875 c1cnc2sc(nc2c1)NC3CCCCC3 27a_100000182618_100010188088 [0,0,0,0,0,0|4,0,0]=4 77 B18R3.12875 c1cnc2sc(nc2c1)NC3CCOCC3 27a_100000741149_100010188088 [0,0,0,0,0,0|3,0,0]=3 78 B18R3.12875 c1cnc2sc(nc2c1)NC3CCSCC3 27a_100000748639_100010188088 [0,0,0,0,0,0|3,1,0]=4 79 B18R3.12875 c1cnc2sc(nc2c1)SC3CCCCC3 62a_100000210327_100010188088 [0,0,0,0,0,0|3,0,0]=3 80 B18R3.12875 c1cnc2sc(nc2c1)SC3CCCCC3 62a_100010188088_100000210327 [0,0,0,0,0,0|3,0,0]=3 81 B18R3.12875 c1cnc2sc(nc2c1)SC3CCCOC3 62a_100010188088_100000693364 [0,0,0,0,0,0|4,0,0]=4 82 B18R3.12875 c1cnc2sc(nc2c1)SC3CCOCC3 62a_100010188088_100011324220 [0,0,0,0,0,0|2,0,0]=2 83 B18R3.12875 c1cnc2sc(nc2c1)SC3CCSCC3 62a_100010188088_100000069128 [0,0,0,0,0,0|2,1,0]=3 84 B18R3.12875 c1cnn2cc(nc2c1)SC3CCOCC3 62a_200010296001_100011324220 [0,0,0,0,0,0|4,0,0]=4 85 B19R3.182 Brc1c(sc2c1cccc2)SC3CCOCC3 62a_100015504031_100011324220 [0,1,0,0,0,0|2,0,0]=3 86 B19R3.182 Brc1c(sc2c1cccc2)SC3CCSCC3 62a_100015504031_100000069128 [0,1,0,0,0,0|2,1,0]=4 87 B19R3.182 Cc1c([nH]c2c1cccc2)CN3CCOCC3 270004a_100015191051_100000066550 [0,1,0,0,0,0|2,0,1]=4 88 B19R3.182 Cc1c(oc2c1cccc2)CN3CCOCC3 270004a_100015191051_100000077534 [0,1,0,0,0,0|2,1,0]=4 89 B19R3.182 Cc1c(sc2c1cccc2)CN3CCOCC3 270004a_100015191051_100000038699 [0,1,0,0,0,0|2,0,0]=3 90 B19R3.182 Cc1c(sc2c1cccc2)CN3CCSCC3 270004a_100000737611_100000038699 [0,1,0,0,0,0|2,1,0]=4 91 B19R3.182 Cc1c(sc2c1cccc2)SC3CCCCC3 62a_100000210327_200010198769 [0,1,0,0,0,0|3,0,0]=4 92 B19R3.182 Clc1c([nH]c2c1cccc2)CN3CCOCC3 270004a_100015191051_100000050720 [0,1,0,0,0,0|2,0,1]=4 93 B19R3.182 Clc1c(sc2c1cccc2)CN3CCOCC3 2230a_100015191051_100000021718 [0,1,0,0,0,0|2,0,0]=3 94 B19R3.182 Clc1c(sc2c1cccc2)CN3CCOCC3 269982a_100015191051_100000021718 [0,1,0,0,0,0|2,0,0]=3 95 B19R3.182 Clc1c(sc2c1cccc2)CN3CCOCC3 270004a_100015191051_100000017830 [0,1,0,0,0,0|2,0,0]=3 96 B19R3.182 Clc1c(sc2c1cccc2)CN3CCOCC3 34a_100015191051_100000021718 [0,1,0,0,0,0|2,0,0]=3 97 B19R3.182 Clc1c(sc2c1cccc2)CN3CCSCC3 2230a_100000737611_100000021718 [0,1,0,0,0,0|2,1,0]=4 98 B19R3.182 Clc1c(sc2c1cccc2)CN3CCSCC3 269982a_100000737611_100000021718 [0,1,0,0,0,0|2,1,0]=4 99 B19R3.182 Clc1c(sc2c1cccc2)CN3CCSCC3 270004a_100000737611_100000017830 [0,1,0,0,0,0|2,1,0]=4 100 B19R3.182 Cn1c(cc2c1cccc2)CN3CCOCC3 270004a_100015191051_100000033373 [0,1,0,0,0,0|2,0,1]=4 101 B19R3.182 Cn1c(nc2c1cccc2)CN3CCOCC3 2230a_100015191051_100000748711 [0,1,0,0,0,0|2,0,0]=3 102 B19R3.182 Cn1c(nc2c1cccc2)CN3CCOCC3 269982a_100015191051_100000748711 [0,1,0,0,0,0|2,0,0]=3 103 B19R3.182 Cn1c(nc2c1cccc2)CN3CCOCC3 270004a_100015191051_100000188960 [0,1,0,0,0,0|2,0,0]=3 104 B19R3.182 Cn1c(nc2c1cccc2)CN3CCOCC3 34a_100015191051_100000748711 [0,1,0,0,0,0|2,0,0]=3 105 B19R3.182 Cn1c(nc2c1cccc2)CN3CCSCC3 2230a_100000737611_100000748711 [0,1,0,0,0,0|2,1,0]=4 106 B19R3.182 Cn1c(nc2c1cccc2)CN3CCSCC3 269982a_100000737611_100000748711 [0,1,0,0,0,0|2,1,0]=4 107 B19R3.182 Cn1c(nc2c1cccc2)CN3CCSCC3 270004a_100000737611_100000188960 [0,1,0,0,0,0|2,1,0]=4 108 B19R3.182 Cn1c(nc2c1cccc2)NC3CCOCC3 27a_100000741149_200000239431 [0,1,0,0,0,0|3,0,0]=4 109 B19R3.182 Cn1c(nc2c1cccc2)SC3CCCCC3 62a_100000210327_200000239431 [0,1,0,0,0,0|3,0,0]=4 110 B19R3.182 Cn1c(nc2c1cccc2)SC3CCCCC3 62a_200000239431_100000210327 [0,1,0,0,0,0|3,0,0]=4 111 B19R3.182 Cn1c(nc2c1cccc2)SC3CCOCC3 62a_200000239431_100011324220 [0,1,0,0,0,0|2,0,0]=3 112 B19R3.182 Cn1c(nc2c1cccc2)SC3CCSCC3 62a_200000239431_100000069128 [0,1,0,0,0,0|2,1,0]=4 113 B19R3.8304 Brc1cccc2c1[nH]c(c2)SC3CCOCC3 62a_100135389745_100011324220 [0,1,0,0,0,0|2,0,1]=4 114 B19R3.8304 Brc1cccc2c1cc([nH]2)CN3CCOCC3 270004a_100015191051_200010333833 [0,1,0,0,0,0|2,0,1]=4 115 B19R3.8304 Brc1cccc2c1cc(s2)CN3CCOCC3 270004a_100015191051_100010109917 [0,1,0,0,0,0|2,0,0]=3 116 B19R3.8304 Brc1cccc2c1cc(s2)CN3CCSCC3 270004a_100000737611_100010109917 [0,1,0,0,0,0|2,1,0]=4 117 B19R3.8304 Brc1cccc2c1sc(c2)CN3CCOCC3 270004a_100015191051_100010110135 [0,1,0,0,0,0|2,0,0]=3 118 B19R3.8304 Brc1cccc2c1sc(c2)CN3CCSCC3 270004a_100000737611_100010110135 [0,1,0,0,0,0|2,1,0]=4 119 B19R3.8304 Brc1cccc2n1cc(n2)CN3CCOCC3 2230a_100015191051_200010174612 [0,1,0,0,0,0|3,0,0]=4 120 B19R3.8304 Brc1cccc2n1cc(n2)CN3CCOCC3 269982a_100015191051_200010174612 [0,1,0,0,0,0|3,0,0]=4 121 B19R3.8304 Cc1cccc2c1nc(o2)CN3CCOCC3 2230a_100015191051_100011397728 [0,1,0,0,0,0|1,1,0]=3 122 B19R3.8304 Cc1cccc2c1nc(o2)CN3CCOCC3 269982a_100015191051_100011397728 [0,1,0,0,0,0|1,1,0]=3 123 B19R3.8304 Cc1cccc2c1nc(o2)CN3CCOCC3 34a_100015191051_100011397728 [0,1,0,0,0,0|1,1,0]=3 124 B19R3.8304 Cc1cccc2c1nc(o2)CN3CCSCC3 2230a_100000737611_100011397728 [0,1,0,0,0,0|1,2,0]=4 125 B19R3.8304 Cc1cccc2c1nc(o2)CN3CCSCC3 269982a_100000737611_100011397728 [0,1,0,0,0,0|1,2,0]=4 126 B19R3.8304 Cc1cccc2c1nc(s2)NC3CCCCC3 27a_100000182618_100010008827 [0,1,0,0,0,0|3,0,0]=4 127 B19R3.8304 Cc1cccc2c1nc(s2)NC3CCOCC3 27a_100000741149_100010008827 [0,1,0,0,0,0|2,0,0]=3 128 B19R3.8304 Cc1cccc2c1nc(s2)NC3CCSCC3 27a_100000748639_100010008827 [0,1,0,0,0,0|2,1,0]=4 129 B19R3.8304 Cc1cccc2c1nc(s2)SC3CCCCC3 62a_100000210327_100010008827 [0,1,0,0,0,0|2,0,0]=3 130 B19R3.8304 Cc1cccn2c1nc(c2)CN3CCOCC3 2230a_100015191051_100000017237 [0,1,0,0,0,0|3,0,0]=4 131 B19R3.8304 Cc1cccn2c1nc(c2)CN3CCOCC3 269982a_100015191051_100000017237 [0,1,0,0,0,0|3,0,0]=4 132 B19R3.8304 Cc1cccn2c1nc(c2)CN3CCOCC3 34a_100015191051_100000017237 [0,1,0,0,0,0|3,0,0]=4 133 B19R3.8304 Cc1ccnc2c1nc([nH]2)CN3CCOCC3 2230a_100015191051_200000699823 [0,1,0,0,0,0|3,0,0]=4 134 B19R3.8304 Cc1ccnc2c1nc([nH]2)CN3CCOCC3 269982a_100015191051_200000699823 [0,1,0,0,0,0|3,0,0]=4 135 B19R3.8304 Cc1ccnc2c1nc([nH]2)CN3CCOCC3 34a_100015191051_200000699823 [0,1,0,0,0,0|3,0,0]=4 136 B19R3.8304 Clc1cccc2c1cc(s2)CN3CCOCC3 270004a_100015191051_100000117544 [0,1,0,0,0,0|2,0,0]=3 137 B19R3.8304 Clc1cccc2c1cc(s2)CN3CCSCC3 270004a_100000737611_100000117544 [0,1,0,0,0,0|2,1,0]=4 138 B19R3.8304 Clc1cccn2c1nc(c2)CN3CCOCC3 270004a_100015191051_100011361495 [0,1,0,0,0,0|3,0,0]=4 139 B19R3.8304 Clc1ccnc2c1sc(c2)CN3CCOCC3 270004a_100015191051_100009883415 [0,1,0,0,0,0|3,0,0]=4 140 B19R3.8304 Fc1cccc2c1nc(s2)NC3CCCCC3 27a_100000182618_100010008856 [0,1,0,0,0,0|3,0,0]=4 141 B19R3.8304 Fc1cccc2c1nc(s2)NC3CCOCC3 27a_100000741149_100010008856 [0,1,0,0,0,0|2,0,0]=3 142 B19R3.8304 Fc1cccc2c1nc(s2)NC3CCSCC3 27a_100000748639_100010008856 [0,1,0,0,0,0|2,1,0]=4 143 B19R3.8304 Fc1cccc2c1nc(s2)SC3CCCCC3 62a_100000210327_100010008856 [0,1,0,0,0,0|2,0,0]=3 144 B19R3.54463 CC1=CCCN(C1)Cc2nc3ccccc3s2 2230a_100000725631_100000766747 [0,1,0,0,0,0|2,0,1]=4 145 B19R3.54463 CC1=CCCN(C1)Cc2nc3ccccc3s2 269982a_100000725631_100011217541 [0,1,0,0,0,0|2,0,1]=4 146 B19R3.54463 CC1=CCCN(C1)Cc2nc3ccccc3s2 270004a_100000725631_100011204187 [0,1,0,0,0,0|2,0,1]=4 147 B19R3.54463 CC1=CCCN(C1)Cc2nc3ccccc3s2 34a_100000725631_100011217541 [0,1,0,0,0,0|2,0,1]=4 148 B19R3.54463 CC1CCCC(C1)Nc2nc3ccccc3s2 27a_100011194320_100000751744 [0,1,0,0,0,0|3,0,0]=4 149 B19R3.54463 CC1CN(CCO1)Cc2cc3ccccc3[nH]2 270004a_100000729577_100000051030 [0,1,0,0,0,0|2,0,1]=4 150 B19R3.54463 CC1CN(CCO1)Cc2cc3ccccc3o2 270004a_100000729577_100000229944 [0,1,0,0,0,0|2,1,0]=4 151 B19R3.54463 CC1CN(CCO1)Cc2cc3ccccc3s2 270004a_100000729577_100000686906 [0,1,0,0,0,0|2,0,0]=3 152 B19R3.54463 CC1CN(CCO1)Cc2cc3cccnc3s2 270004a_100000729577_100000050461 [0,1,0,0,0,0|3,0,0]=4 153 B19R3.54463 CC1CN(CCO1)Cc2cc3cnccc3s2 270004a_100000729577_100000054438 [0,1,0,0,0,0|3,0,0]=4 154 B19R3.54463 CC1CN(CCO1)Cc2cn3ccccc3n2 2230a_100000729577_100000689847 [0,1,0,0,0,0|3,0,0]=4 155 B19R3.54463 CC1CN(CCO1)Cc2cn3ccccc3n2 269982a_100000729577_100000689847 [0,1,0,0,0,0|3,0,0]=4 156 B19R3.54463 CC1CN(CCO1)Cc2cn3ccccc3n2 34a_100000729577_100000689847 [0,1,0,0,0,0|3,0,0]=4 157 B19R3.54463 CC1CN(CCO1)Cc2nc3ccccc3[nH]2 2230a_100000729577_100000737899 [0,1,0,0,0,0|2,0,0]=3 158 B19R3.54463 CC1CN(CCO1)Cc2nc3ccccc3[nH]2 269982a_100000729577_100000737899 [0,1,0,0,0,0|2,0,0]=3 159 B19R3.54463 CC1CN(CCO1)Cc2nc3ccccc3[nH]2 270004a_100000729577_100000185668 [0,1,0,0,0,0|2,0,0]=3 160 B19R3.54463 CC1CN(CCO1)Cc2nc3ccccc3o2 2230a_100000729577_100000195508 [0,1,0,0,0,0|1,1,0]=3 161 B19R3.54463 CC1CN(CCO1)Cc2nc3ccccc3o2 34a_100000729577_200012361514 [0,1,0,0,0,0|1,1,0]=3 162 B19R3.54463 CC1CN(CCO1)Cc2nc3ccccc3s2 2230a_100000729577_100000766747 [0,1,0,0,0,0|1,0,0]=2 163 B19R3.54463 CC1CN(CCO1)Cc2nc3ccccc3s2 269982a_100000729577_100011217541 [0,1,0,0,0,0|1,0,0]=2 164 B19R3.54463 CC1CN(CCO1)Cc2nc3ccccc3s2 270004a_100000729577_100011204187 [0,1,0,0,0,0|1,0,0]=2 165 B19R3.54463 CC1CN(CCO1)Cc2nc3ccccc3s2 34a_100000729577_100011217541 [0,1,0,0,0,0|1,0,0]=2 166 B19R3.54463 CC1CN(CCO1)Cc2nc3cccnc3[nH]2 2230a_100000729577_100011549802 [0,1,0,0,0,0|3,0,0]=4 167 B19R3.54463 CC1CN(CCO1)Cc2nc3ncccc3o2 2230a_100000729577_100000696355 [0,1,0,0,0,0|2,1,0]=4 168 B19R3.54463 C[C@H]1CCCN(C1)Cc2cc3ccccc3s2 270004a_100000717927_100000686906 [0,1,0,0,0,0|3,0,0]=4 169 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3[nH]2 2230a_100000717927_100000737899 [0,1,0,0,0,0|3,0,0]=4 170 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3[nH]2 269982a_100000717927_100000737899 [0,1,0,0,0,0|3,0,0]=4 171 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3[nH]2 270004a_100000717927_100000185668 [0,1,0,0,0,0|3,0,0]=4 172 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3o2 2230a_100000717927_100000195508 [0,1,0,0,0,0|2,1,0]=4 173 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3o2 34a_100000717927_200012361514 [0,1,0,0,0,0|2,1,0]=4 174 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 2230a_100000717927_100000766747 [0,1,0,0,0,0|2,0,0]=3 175 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 269982a_100000717927_100011217541 [0,1,0,0,0,0|2,0,0]=3 176 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 270004a_100000717927_100011204187 [0,1,0,0,0,0|2,0,0]=3 177 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 34a_100000717927_100011217541 [0,1,0,0,0,0|2,0,0]=3 178 B19R3.54463 FC1CCCN(C1)Cc2cc3ccccc3s2 270004a_100000697950_100000686906 [0,1,0,0,0,0|3,0,0]=4 179 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3[nH]2 2230a_100000697950_100000737899 [0,1,0,0,0,0|3,0,0]=4 180 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3[nH]2 269982a_100000697950_100000737899 [0,1,0,0,0,0|3,0,0]=4 181 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3[nH]2 270004a_100000697950_100000185668 [0,1,0,0,0,0|3,0,0]=4 182 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3o2 2230a_100000697950_100000195508 [0,1,0,0,0,0|2,1,0]=4 183 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3o2 34a_100000697950_200012361514 [0,1,0,0,0,0|2,1,0]=4 184 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3s2 2230a_100000697950_100000766747 [0,1,0,0,0,0|2,0,0]=3 185 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3s2 269982a_100000697950_100011217541 [0,1,0,0,0,0|2,0,0]=3 186 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3s2 270004a_100000697950_100011204187 [0,1,0,0,0,0|2,0,0]=3 187 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3s2 34a_100000697950_100011217541 [0,1,0,0,0,0|2,0,0]=3 188 B19R3.54463 O=C1CN(CCN1)Cc2nc3ccccc3s2 2230a_100000184651_100000766747 [0,1,0,0,0,0|2,0,1]=4 189 B19R3.54463 O=C1CN(CCN1)Cc2nc3ccccc3s2 270004a_100000184651_100011204187 [0,1,0,0,0,0|2,0,1]=4 190 B19R3.54463 O=C1CN(CCO1)Cc2cc3ccccc3s2 270004a_100000131268_100000686906 [0,1,0,0,0,0|2,0,1]=4 191 B19R3.54463 O=C1CN(CCO1)Cc2nc3ccccc3[nH]2 2230a_100000131268_100000737899 [0,1,0,0,0,0|2,0,1]=4 192 B19R3.54463 O=C1CN(CCO1)Cc2nc3ccccc3[nH]2 270004a_100000131268_100000185668 [0,1,0,0,0,0|2,0,1]=4 193 B19R3.54463 O=C1CN(CCO1)Cc2nc3ccccc3o2 2230a_100000131268_100000195508 [0,1,0,0,0,0|1,1,1]=4 194 B19R3.54463 O=C1CN(CCO1)Cc2nc3ccccc3s2 2230a_100000131268_100000766747 [0,1,0,0,0,0|1,0,1]=3 195 B19R3.54463 O=C1CN(CCO1)Cc2nc3ccccc3s2 270004a_100000131268_100011204187 [0,1,0,0,0,0|1,0,1]=3 196 B19R3.54463 OC1CCCC(C1)Nc2nc3ccccc3s2 27a_100015190357_100000751744 [0,1,0,0,0,0|3,0,0]=4 197 B19R3.54463 OC1CCCN(C1)Cc2cc3ccccc3s2 270004a_100000211013_100000686906 [0,1,0,0,0,0|3,0,0]=4 198 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3[nH]2 2230a_100000211013_100000737899 [0,1,0,0,0,0|3,0,0]=4 199 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3[nH]2 269982a_100000211013_100000737899 [0,1,0,0,0,0|3,0,0]=4 200 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3[nH]2 270004a_100000211013_100000185668 [0,1,0,0,0,0|3,0,0]=4 201 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3o2 2230a_100000211013_100000195508 [0,1,0,0,0,0|2,1,0]=4 202 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3s2 2230a_100000211013_100000766747 [0,1,0,0,0,0|2,0,0]=3 203 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3s2 269982a_100000211013_100011217541 [0,1,0,0,0,0|2,0,0]=3 204 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3s2 270004a_100000211013_100011204187 [0,1,0,0,0,0|2,0,0]=3 205 B19R3.54463 OC1CN(CCO1)Cc2cc3ccccc3[nH]2 270004a_100000688207_100000051030 [0,1,0,0,0,0|2,0,1]=4 206 B19R3.54463 OC1CN(CCO1)Cc2cc3ccccc3o2 270004a_100000688207_100000229944 [0,1,0,0,0,0|2,1,0]=4 207 B19R3.54463 OC1CN(CCO1)Cc2cc3ccccc3s2 270004a_100000688207_100000686906 [0,1,0,0,0,0|2,0,0]=3 208 B19R3.54463 OC1CN(CCO1)Cc2cc3cccnc3s2 270004a_100000688207_100000050461 [0,1,0,0,0,0|3,0,0]=4 209 B19R3.54463 OC1CN(CCO1)Cc2cc3cnccc3s2 270004a_100000688207_100000054438 [0,1,0,0,0,0|3,0,0]=4 210 B19R3.54463 OC1CN(CCO1)Cc2cn3ccccc3n2 2230a_100000688207_100000689847 [0,1,0,0,0,0|3,0,0]=4 211 B19R3.54463 OC1CN(CCO1)Cc2cn3ccccc3n2 269982a_100000688207_100000689847 [0,1,0,0,0,0|3,0,0]=4 212 B19R3.54463 OC1CN(CCO1)Cc2nc3ccccc3[nH]2 2230a_100000688207_100000737899 [0,1,0,0,0,0|2,0,0]=3 213 B19R3.54463 OC1CN(CCO1)Cc2nc3ccccc3[nH]2 269982a_100000688207_100000737899 [0,1,0,0,0,0|2,0,0]=3 214 B19R3.54463 OC1CN(CCO1)Cc2nc3ccccc3[nH]2 270004a_100000688207_100000185668 [0,1,0,0,0,0|2,0,0]=3 215 B19R3.54463 OC1CN(CCO1)Cc2nc3ccccc3o2 2230a_100000688207_100000195508 [0,1,0,0,0,0|1,1,0]=3 216 B19R3.54463 OC1CN(CCO1)Cc2nc3ccccc3s2 2230a_100000688207_100000766747 [0,1,0,0,0,0|1,0,0]=2 217 B19R3.54463 OC1CN(CCO1)Cc2nc3ccccc3s2 269982a_100000688207_100011217541 [0,1,0,0,0,0|1,0,0]=2 218 B19R3.54463 OC1CN(CCO1)Cc2nc3ccccc3s2 270004a_100000688207_100011204187 [0,1,0,0,0,0|1,0,0]=2 219 B19R3.54463 OC1CN(CCO1)Cc2nc3cccnc3[nH]2 2230a_100000688207_100011549802 [0,1,0,0,0,0|3,0,0]=4 220 B19R3.54463 OC1CN(CCO1)Cc2nc3ncccc3o2 2230a_100000688207_100000696355 [0,1,0,0,0,0|2,1,0]=4 221 B19R3.88146 Brc1ccc2[nH]c(cc2c1)CN3CCOCC3 270004a_100015191051_100009820874 [0,1,0,0,0,0|2,0,1]=4 222 B19R3.88146 Brc1ccc2[nH]c(cc2c1)SC3CCOCC3 62a_100011012855_100011324220 [0,1,0,0,0,0|2,0,1]=4 223 B19R3.88146 Brc1ccc2[nH]c(nc2c1)CN3CCOCC3 2230a_100015191051_100000701424 [0,1,0,0,0,0|2,0,0]=3 224 B19R3.88146 Brc1ccc2[nH]c(nc2c1)CN3CCOCC3 269982a_100015191051_100000701424 [0,1,0,0,0,0|2,0,0]=3 225 B19R3.88146 Brc1ccc2[nH]c(nc2c1)CN3CCOCC3 34a_100015191051_100000701424 [0,1,0,0,0,0|2,0,0]=3 226 B19R3.88146 Brc1ccc2[nH]c(nc2c1)CN3CCSCC3 2230a_100000737611_100000701424 [0,1,0,0,0,0|2,1,0]=4 227 B19R3.88146 Brc1ccc2[nH]c(nc2c1)CN3CCSCC3 269982a_100000737611_100000701424 [0,1,0,0,0,0|2,1,0]=4 228 B19R3.88146 Brc1ccc2cc([nH]c2c1)CN3CCOCC3 270004a_100015191051_100000736022 [0,1,0,0,0,0|2,0,1]=4 229 B19R3.88146 Brc1ccc2cc(sc2c1)CN3CCOCC3 270004a_100015191051_100009814784 [0,1,0,0,0,0|2,0,0]=3 230 B19R3.88146 Brc1ccc2cc(sc2c1)CN3CCSCC3 270004a_100000737611_100009814784 [0,1,0,0,0,0|2,1,0]=4 231 B19R3.88146 Brc1ccc2nc([nH]c2c1)CN3CCOCC3 270004a_100015191051_200011361486 [0,1,0,0,0,0|2,0,0]=3 232 B19R3.88146 Brc1ccc2nc([nH]c2c1)CN3CCSCC3 270004a_100000737611_200011361486 [0,1,0,0,0,0|2,1,0]=4 233 B19R3.88146 Brc1ccc2nc(cn2c1)CN3CCOCC3 2230a_100015191051_100000741204 [0,1,0,0,0,0|3,0,0]=4 234 B19R3.88146 Brc1ccc2nc(cn2c1)CN3CCOCC3 269982a_100015191051_100000741204 [0,1,0,0,0,0|3,0,0]=4 235 B19R3.88146 Brc1ccc2nc(cn2c1)CN3CCOCC3 270004a_100015191051_100012351728 [0,1,0,0,0,0|3,0,0]=4 236 B19R3.88146 Brc1ccc2nc(cn2c1)CN3CCOCC3 34a_100015191051_100000741204 [0,1,0,0,0,0|3,0,0]=4 237 B19R3.88146 Brc1ccc2nc(oc2c1)CN3CCOCC3 2230a_100015191051_100000729449 [0,1,0,0,0,0|1,1,0]=3 238 B19R3.88146 Brc1ccc2nc(oc2c1)CN3CCOCC3 34a_100015191051_100000729449 [0,1,0,0,0,0|1,1,0]=3 239 B19R3.88146 Brc1ccc2nc(oc2c1)CN3CCSCC3 2230a_100000737611_100000729449 [0,1,0,0,0,0|1,2,0]=4 240 B19R3.88146 Brc1ccc2oc(cc2c1)CN3CCOCC3 270004a_100015191051_100000755920 [0,1,0,0,0,0|2,1,0]=4 241 B19R3.88146 Brc1ccc2oc(nc2c1)CN3CCOCC3 2230a_100015191051_100000730559 [0,1,0,0,0,0|1,1,0]=3 242 B19R3.88146 Brc1ccc2oc(nc2c1)CN3CCOCC3 34a_100015191051_100000730559 [0,1,0,0,0,0|1,1,0]=3 243 B19R3.88146 Brc1ccc2oc(nc2c1)CN3CCSCC3 2230a_100000737611_100000730559 [0,1,0,0,0,0|1,2,0]=4 244 B19R3.88146 Brc1ccc2sc(cc2c1)CN3CCOCC3 270004a_100015191051_100010238522 [0,1,0,0,0,0|2,0,0]=3 245 B19R3.88146 Brc1ccc2sc(cc2c1)CN3CCSCC3 270004a_100000737611_100010238522 [0,1,0,0,0,0|2,1,0]=4 246 B19R3.88146 Brc1ccc2sc(cc2c1)SC3CCOCC3 62a_200010198765_100011324220 [0,1,0,0,0,0|2,0,0]=3 247 B19R3.88146 Brc1ccc2sc(cc2c1)SC3CCSCC3 62a_200010198765_100000069128 [0,1,0,0,0,0|2,1,0]=4 248 B19R3.88146 Cc1ccc2[nH]c(cc2c1)CN3CCOCC3 270004a_100015191051_100000084633 [0,1,0,0,0,0|2,0,1]=4 249 B19R3.88146 Cc1ccc2nc([nH]c2c1)CN3CCOCC3 2230a_100015191051_100020603265 [0,1,0,0,0,0|2,0,0]=3 250 B19R3.88146 Cc1ccc2nc([nH]c2c1)CN3CCOCC3 269982a_100015191051_100020603265 [0,1,0,0,0,0|2,0,0]=3 251 B19R3.88146 Cc1ccc2nc([nH]c2c1)CN3CCOCC3 34a_100015191051_100020603265 [0,1,0,0,0,0|2,0,0]=3 252 B19R3.88146 Cc1ccc2nc([nH]c2c1)CN3CCSCC3 2230a_100000737611_100020603265 [0,1,0,0,0,0|2,1,0]=4 253 B19R3.88146 Cc1ccc2nc([nH]c2c1)CN3CCSCC3 269982a_100000737611_100020603265 [0,1,0,0,0,0|2,1,0]=4 254 B19R3.88146 Cc1ccc2nc(cn2c1)CN3CCOCC3 2230a_100015191051_100000688364 [0,1,0,0,0,0|3,0,0]=4 255 B19R3.88146 Cc1ccc2nc(cn2c1)CN3CCOCC3 269982a_100015191051_100000688364 [0,1,0,0,0,0|3,0,0]=4 256 B19R3.88146 Cc1ccc2nc(oc2c1)CN3CCOCC3 2230a_100015191051_100011295139 [0,1,0,0,0,0|1,1,0]=3 257 B19R3.88146 Cc1ccc2nc(oc2c1)CN3CCOCC3 269982a_100015191051_100011295139 [0,1,0,0,0,0|1,1,0]=3 258 B19R3.88146 Cc1ccc2nc(oc2c1)CN3CCOCC3 34a_100015191051_100011295139 [0,1,0,0,0,0|1,1,0]=3 259 B19R3.88146 Cc1ccc2nc(oc2c1)CN3CCSCC3 2230a_100000737611_100011295139 [0,1,0,0,0,0|1,2,0]=4 260 B19R3.88146 Cc1ccc2nc(oc2c1)CN3CCSCC3 269982a_100000737611_100011295139 [0,1,0,0,0,0|1,2,0]=4 261 B19R3.88146 Cc1ccc2nc(sc2c1)NC3CCCCC3 27a_100000182618_100010186437 [0,1,0,0,0,0|3,0,0]=4 262 B19R3.88146 Cc1ccc2nc(sc2c1)NC3CCOCC3 27a_100000741149_100010186437 [0,1,0,0,0,0|2,0,0]=3 263 B19R3.88146 Cc1ccc2nc(sc2c1)NC3CCSCC3 27a_100000748639_100010186437 [0,1,0,0,0,0|2,1,0]=4 264 B19R3.88146 Cc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000210327_100010186437 [0,1,0,0,0,0|2,0,0]=3 265 B19R3.88146 Cc1ccc2oc(nc2c1)CN3CCOCC3 2230a_100015191051_100011374149 [0,1,0,0,0,0|1,1,0]=3 266 B19R3.88146 Cc1ccc2oc(nc2c1)CN3CCOCC3 269982a_100015191051_100011374149 [0,1,0,0,0,0|1,1,0]=3 267 B19R3.88146 Cc1ccc2oc(nc2c1)CN3CCOCC3 34a_100015191051_100011374149 [0,1,0,0,0,0|1,1,0]=3 268 B19R3.88146 Cc1ccc2oc(nc2c1)CN3CCSCC3 2230a_100000737611_100011374149 [0,1,0,0,0,0|1,2,0]=4 269 B19R3.88146 Cc1ccc2oc(nc2c1)CN3CCSCC3 269982a_100000737611_100011374149 [0,1,0,0,0,0|1,2,0]=4 270 B19R3.88146 Cc1ccc2sc(cc2c1)CN3CCOCC3 270004a_100015191051_100000050833 [0,1,0,0,0,0|2,0,0]=3 271 B19R3.88146 Cc1ccc2sc(cc2c1)CN3CCSCC3 270004a_100000737611_100000050833 [0,1,0,0,0,0|2,1,0]=4 272 B19R3.88146 Cc1ccn2cc(nc2c1)CN3CCOCC3 2230a_100015191051_200015186621 [0,1,0,0,0,0|3,0,0]=4 273 B19R3.88146 Cc1ccn2cc(nc2c1)CN3CCOCC3 269982a_100015191051_200015186621 [0,1,0,0,0,0|3,0,0]=4 274 B19R3.88146 Cc1ccn2cc(nc2c1)CN3CCOCC3 34a_100015191051_200015186621 [0,1,0,0,0,0|3,0,0]=4 275 B19R3.88146 Clc1ccc2[nH]c(cc2c1)CN3CCOCC3 270004a_100015191051_100000084621 [0,1,0,0,0,0|2,0,1]=4 276 B19R3.88146 Clc1ccc2[nH]c(nc2c1)CN3CCOCC3 2230a_100015191051_100000179801 [0,1,0,0,0,0|2,0,0]=3 277 B19R3.88146 Clc1ccc2[nH]c(nc2c1)CN3CCOCC3 269982a_100015191051_100000179801 [0,1,0,0,0,0|2,0,0]=3 278 B19R3.88146 Clc1ccc2[nH]c(nc2c1)CN3CCSCC3 2230a_100000737611_100000179801 [0,1,0,0,0,0|2,1,0]=4 279 B19R3.88146 Clc1ccc2[nH]c(nc2c1)CN3CCSCC3 269982a_100000737611_100000179801 [0,1,0,0,0,0|2,1,0]=4 280 B19R3.88146 Clc1ccc2cc([nH]c2c1)CN3CCOCC3 270004a_100015191051_100000100868 [0,1,0,0,0,0|2,0,1]=4 281 B19R3.88146 Clc1ccc2nc(cn2c1)CN3CCOCC3 2230a_100015191051_100000689856 [0,1,0,0,0,0|3,0,0]=4 282 B19R3.88146 Clc1ccc2nc(cn2c1)CN3CCOCC3 269982a_100015191051_100000689856 [0,1,0,0,0,0|3,0,0]=4 283 B19R3.88146 Clc1ccc2nc(cn2c1)CN3CCOCC3 34a_100015191051_100000689856 [0,1,0,0,0,0|3,0,0]=4 284 B19R3.88146 Clc1ccc2oc(cc2c1)CN3CCOCC3 270004a_100015191051_100012003054 [0,1,0,0,0,0|2,1,0]=4 285 B19R3.88146 Clc1ccc2oc(nc2c1)CN3CCOCC3 2230a_100015191051_100011222916 [0,1,0,0,0,0|1,1,0]=3 286 B19R3.88146 Clc1ccc2oc(nc2c1)CN3CCOCC3 269982a_100015191051_100011222916 [0,1,0,0,0,0|1,1,0]=3 287 B19R3.88146 Clc1ccc2oc(nc2c1)CN3CCSCC3 2230a_100000737611_100011222916 [0,1,0,0,0,0|1,2,0]=4 288 B19R3.88146 Clc1ccc2oc(nc2c1)CN3CCSCC3 269982a_100000737611_100011222916 [0,1,0,0,0,0|1,2,0]=4 289 B19R3.88146 Clc1ccc2sc(cc2c1)CN3CCOCC3 270004a_100015191051_200000119088 [0,1,0,0,0,0|2,0,0]=3 290 B19R3.88146 Clc1ccc2sc(cc2c1)CN3CCSCC3 270004a_100000737611_200000119088 [0,1,0,0,0,0|2,1,0]=4 291 B19R3.88146 Fc1ccc2[nH]c(cc2c1)CN3CCOCC3 270004a_100015191051_100000050952 [0,1,0,0,0,0|2,0,1]=4 292 B19R3.88146 Fc1ccc2[nH]c(nc2c1)CN3CCOCC3 270004a_100015191051_200011915233 [0,1,0,0,0,0|2,0,0]=3 293 B19R3.88146 Fc1ccc2[nH]c(nc2c1)CN3CCSCC3 270004a_100000737611_200011915233 [0,1,0,0,0,0|2,1,0]=4 294 B19R3.88146 Fc1ccc2nc([nH]c2c1)CN3CCOCC3 2230a_100015191051_200011347187 [0,1,0,0,0,0|2,0,0]=3 295 B19R3.88146 Fc1ccc2nc([nH]c2c1)CN3CCOCC3 269982a_100015191051_200011347187 [0,1,0,0,0,0|2,0,0]=3 296 B19R3.88146 Fc1ccc2nc([nH]c2c1)CN3CCSCC3 2230a_100000737611_200011347187 [0,1,0,0,0,0|2,1,0]=4 297 B19R3.88146 Fc1ccc2nc([nH]c2c1)CN3CCSCC3 269982a_100000737611_200011347187 [0,1,0,0,0,0|2,1,0]=4 298 B19R3.88146 Fc1ccc2nc(cn2c1)SC3CCOCC3 62a_100010231931_100011324220 [0,1,0,0,0,0|3,0,0]=4 299 B19R3.88146 Fc1ccc2nc(oc2c1)CN3CCOCC3 2230a_100015191051_100000687025 [0,1,0,0,0,0|1,1,0]=3 300 B19R3.88146 Fc1ccc2nc(oc2c1)CN3CCOCC3 269982a_100015191051_100000687025 [0,1,0,0,0,0|1,1,0]=3 301 B19R3.88146 Fc1ccc2nc(oc2c1)CN3CCOCC3 34a_100015191051_100000687025 [0,1,0,0,0,0|1,1,0]=3 302 B19R3.88146 Fc1ccc2nc(oc2c1)CN3CCSCC3 2230a_100000737611_100000687025 [0,1,0,0,0,0|1,2,0]=4 303 B19R3.88146 Fc1ccc2nc(oc2c1)CN3CCSCC3 269982a_100000737611_100000687025 [0,1,0,0,0,0|1,2,0]=4 304 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCCCC3 27a_100000182618_100000751617 [0,1,0,0,0,0|3,0,0]=4 305 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCOCC3 27a_100000741149_100000751617 [0,1,0,0,0,0|2,0,0]=3 306 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCSCC3 27a_100000748639_100000751617 [0,1,0,0,0,0|2,1,0]=4 307 B19R3.88146 Fc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000210327_100000751617 [0,1,0,0,0,0|2,0,0]=3 308 B19R3.88146 Fc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000751617_100000210327 [0,1,0,0,0,0|2,0,0]=3 309 B19R3.88146 Fc1ccc2nc(sc2c1)SC3CCCOC3 62a_100000751617_100000693364 [0,1,0,0,0,0|3,0,0]=4 310 B19R3.88146 Fc1ccc2nc(sc2c1)SC3CCOCC3 62a_100000751617_100011324220 [0,1,0,0,0,0|1,0,0]=2 311 B19R3.88146 Fc1ccc2nc(sc2c1)SC3CCSCC3 62a_100000751617_100000069128 [0,1,0,0,0,0|1,1,0]=3 312 B19R3.88146 Fc1ccc2nc(sc2n1)NC3CCOCC3 27a_100000741149_200010738066 [0,1,0,0,0,0|3,0,0]=4 313 B19R3.88146 Fc1ccc2nc(sc2n1)SC3CCCCC3 62a_100000210327_200010738066 [0,1,0,0,0,0|3,0,0]=4 314 B19R3.88146 Fc1ccc2nc(sc2n1)SC3CCCCC3 62a_200010738066_100000210327 [0,1,0,0,0,0|3,0,0]=4 315 B19R3.88146 Fc1ccc2nc(sc2n1)SC3CCOCC3 62a_200010738066_100011324220 [0,1,0,0,0,0|2,0,0]=3 316 B19R3.88146 Fc1ccc2nc(sc2n1)SC3CCSCC3 62a_200010738066_100000069128 [0,1,0,0,0,0|2,1,0]=4 317 B19R3.88146 Fc1ccc2oc(nc2c1)CN3CCOCC3 2230a_100015191051_100000687093 [0,1,0,0,0,0|1,1,0]=3 318 B19R3.88146 Fc1ccc2oc(nc2c1)CN3CCOCC3 269982a_100015191051_100000687093 [0,1,0,0,0,0|1,1,0]=3 319 B19R3.88146 Fc1ccc2oc(nc2c1)CN3CCOCC3 34a_100015191051_100000687093 [0,1,0,0,0,0|1,1,0]=3 320 B19R3.88146 Fc1ccc2oc(nc2c1)CN3CCSCC3 2230a_100000737611_100000687093 [0,1,0,0,0,0|1,2,0]=4 321 B19R3.88146 Fc1ccc2oc(nc2c1)CN3CCSCC3 269982a_100000737611_100000687093 [0,1,0,0,0,0|1,2,0]=4 322 B19R3.88146 Fc1ccc2sc(nc2c1)NC3CCCCC3 27a_100000182618_200010206605 [0,1,0,0,0,0|3,0,0]=4 323 B19R3.88146 Fc1ccc2sc(nc2c1)NC3CCOCC3 27a_100000741149_200010206605 [0,1,0,0,0,0|2,0,0]=3 324 B19R3.88146 Fc1ccc2sc(nc2c1)NC3CCSCC3 27a_100000748639_200010206605 [0,1,0,0,0,0|2,1,0]=4 325 B19R3.88146 Fc1ccc2sc(nc2c1)SC3CCCCC3 62a_100000210327_200010206605 [0,1,0,0,0,0|2,0,0]=3 326 B19R3.88146 Fc1ccc2sc(nc2c1)SC3CCCCC3 62a_200010206605_100000210327 [0,1,0,0,0,0|2,0,0]=3 327 B19R3.88146 Fc1ccc2sc(nc2c1)SC3CCCOC3 62a_200010206605_100000693364 [0,1,0,0,0,0|3,0,0]=4 328 B19R3.88146 Fc1ccc2sc(nc2c1)SC3CCOCC3 62a_200010206605_100011324220 [0,1,0,0,0,0|1,0,0]=2 329 B19R3.88146 Fc1ccc2sc(nc2c1)SC3CCSCC3 62a_200010206605_100000069128 [0,1,0,0,0,0|1,1,0]=3 330 B19R3.88146 Nc1ccc2nc(sc2c1)NC3CCCCC3 27a_100000182618_100010253933 [0,1,0,0,0,0|3,0,0]=4 331 B19R3.88146 Nc1ccc2nc(sc2c1)NC3CCOCC3 27a_100000741149_100010253933 [0,1,0,0,0,0|2,0,0]=3 332 B19R3.88146 Nc1ccc2nc(sc2c1)NC3CCSCC3 27a_100000748639_100010253933 [0,1,0,0,0,0|2,1,0]=4 333 B19R3.88146 Nc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000210327_100010253933 [0,1,0,0,0,0|2,0,0]=3 334 B19R3.88146 Nc1ccc2nc(sc2c1)SC3CCCCC3 62a_100010253933_100000210327 [0,1,0,0,0,0|2,0,0]=3 335 B19R3.88146 Nc1ccc2nc(sc2c1)SC3CCCOC3 62a_100010253933_100000693364 [0,1,0,0,0,0|3,0,0]=4 336 B19R3.88146 Nc1ccc2nc(sc2c1)SC3CCOCC3 62a_100010253933_100011324220 [0,1,0,0,0,0|1,0,0]=2 337 B19R3.88146 Nc1ccc2nc(sc2c1)SC3CCSCC3 62a_100010253933_100000069128 [0,1,0,0,0,0|1,1,0]=3 338 B19R3.88146 Nc1ccc2sc(nc2c1)NC3CCCCC3 27a_100000182618_100010329861 [0,1,0,0,0,0|3,0,0]=4 339 B19R3.88146 Nc1ccc2sc(nc2c1)NC3CCOCC3 27a_100000741149_100010329861 [0,1,0,0,0,0|2,0,0]=3 340 B19R3.88146 Nc1ccc2sc(nc2c1)NC3CCSCC3 27a_100000748639_100010329861 [0,1,0,0,0,0|2,1,0]=4 341 B19R3.88146 Nc1ccc2sc(nc2c1)SC3CCCCC3 62a_100000210327_100010329861 [0,1,0,0,0,0|2,0,0]=3 342 B19R3.88146 Nc1ccc2sc(nc2c1)SC3CCCCC3 62a_100010329861_100000210327 [0,1,0,0,0,0|2,0,0]=3 343 B19R3.88146 Nc1ccc2sc(nc2c1)SC3CCCOC3 62a_100010329861_100000693364 [0,1,0,0,0,0|3,0,0]=4 344 B19R3.88146 Nc1ccc2sc(nc2c1)SC3CCOCC3 62a_100010329861_100011324220 [0,1,0,0,0,0|1,0,0]=2 345 B19R3.88146 Nc1ccc2sc(nc2c1)SC3CCSCC3 62a_100010329861_100000069128 [0,1,0,0,0,0|1,1,0]=3 346 B19R3.88146 Oc1ccc2nc(sc2c1)NC3CCCCC3 27a_100000182618_100010063415 [0,1,0,0,0,0|3,0,0]=4 347 B19R3.88146 Oc1ccc2nc(sc2c1)NC3CCOCC3 27a_100000741149_100010063415 [0,1,0,0,0,0|2,0,0]=3 348 B19R3.88146 Oc1ccc2nc(sc2c1)NC3CCSCC3 27a_100000748639_100010063415 [0,1,0,0,0,0|2,1,0]=4 349 B19R3.88146 Oc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000210327_100010063415 [0,1,0,0,0,0|2,0,0]=3 350 B19R3.171030 CC1CCCCC1Nc2nc3ccccc3s2 27a_100000211402_100000751744 [0,1,0,0,0,0|3,0,0]=4 351 B19R3.171030 CC1CCCCN1Cc2cc3ccccc3s2 270004a_100000211376_100000686906 [0,1,0,0,0,0|3,0,0]=4 352 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3[nH]2 2230a_100000211376_100000737899 [0,1,0,0,0,0|3,0,0]=4 353 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3[nH]2 269982a_100000211376_100000737899 [0,1,0,0,0,0|3,0,0]=4 354 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3[nH]2 270004a_100000211376_100000185668 [0,1,0,0,0,0|3,0,0]=4 355 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3o2 2230a_100000211376_100000195508 [0,1,0,0,0,0|2,1,0]=4 356 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3o2 34a_100000211376_200012361514 [0,1,0,0,0,0|2,1,0]=4 357 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3s2 2230a_100000211376_100000766747 [0,1,0,0,0,0|2,0,0]=3 358 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3s2 269982a_100000211376_100011217541 [0,1,0,0,0,0|2,0,0]=3 359 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3s2 270004a_100000211376_100011204187 [0,1,0,0,0,0|2,0,0]=3 360 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3s2 34a_100000211376_100011217541 [0,1,0,0,0,0|2,0,0]=3 361 B19R3.171030 C[C@H]1COCCN1Cc2cc3ccccc3[nH]2 270004a_100009815349_100000051030 [0,1,0,0,0,0|2,0,1]=4 362 B19R3.171030 C[C@H]1COCCN1Cc2cc3ccccc3o2 270004a_100009815349_100000229944 [0,1,0,0,0,0|2,1,0]=4 363 B19R3.171030 C[C@H]1COCCN1Cc2cc3ccccc3s2 270004a_100009815349_100000686906 [0,1,0,0,0,0|2,0,0]=3 364 B19R3.171030 C[C@H]1COCCN1Cc2cc3cccnc3s2 270004a_100009815349_100000050461 [0,1,0,0,0,0|3,0,0]=4 365 B19R3.171030 C[C@H]1COCCN1Cc2cc3cnccc3s2 270004a_100009815349_100000054438 [0,1,0,0,0,0|3,0,0]=4 366 B19R3.171030 C[C@H]1COCCN1Cc2cn3ccccc3n2 2230a_100009815349_100000689847 [0,1,0,0,0,0|3,0,0]=4 367 B19R3.171030 C[C@H]1COCCN1Cc2cn3ccccc3n2 269982a_100009815349_100000689847 [0,1,0,0,0,0|3,0,0]=4 368 B19R3.171030 C[C@H]1COCCN1Cc2cn3ccccc3n2 34a_100009815349_100000689847 [0,1,0,0,0,0|3,0,0]=4 369 B19R3.171030 C[C@H]1COCCN1Cc2nc3ccccc3[nH]2 2230a_100009815349_100000737899 [0,1,0,0,0,0|2,0,0]=3 370 B19R3.171030 C[C@H]1COCCN1Cc2nc3ccccc3[nH]2 269982a_100009815349_100000737899 [0,1,0,0,0,0|2,0,0]=3 371 B19R3.171030 C[C@H]1COCCN1Cc2nc3ccccc3[nH]2 270004a_100009815349_100000185668 [0,1,0,0,0,0|2,0,0]=3 372 B19R3.171030 C[C@H]1COCCN1Cc2nc3ccccc3o2 2230a_100009815349_100000195508 [0,1,0,0,0,0|1,1,0]=3 373 B19R3.171030 C[C@H]1COCCN1Cc2nc3ccccc3o2 34a_100009815349_200012361514 [0,1,0,0,0,0|1,1,0]=3 374 B19R3.171030 C[C@H]1COCCN1Cc2nc3ccccc3s2 2230a_100009815349_100000766747 [0,1,0,0,0,0|1,0,0]=2 375 B19R3.171030 C[C@H]1COCCN1Cc2nc3ccccc3s2 269982a_100009815349_100011217541 [0,1,0,0,0,0|1,0,0]=2 376 B19R3.171030 C[C@H]1COCCN1Cc2nc3ccccc3s2 270004a_100009815349_100011204187 [0,1,0,0,0,0|1,0,0]=2 377 B19R3.171030 C[C@H]1COCCN1Cc2nc3ccccc3s2 34a_100009815349_100011217541 [0,1,0,0,0,0|1,0,0]=2 378 B19R3.171030 C[C@H]1COCCN1Cc2nc3cccnc3[nH]2 2230a_100009815349_100011549802 [0,1,0,0,0,0|3,0,0]=4 379 B19R3.171030 C[C@H]1COCCN1Cc2nc3ncccc3o2 2230a_100009815349_100000696355 [0,1,0,0,0,0|2,1,0]=4 380 B19R3.171030 FC1CCCCC1Sc2cc3ccccc3s2 62a_100015423560_100009816949 [0,1,0,0,0,0|3,0,0]=4 381 B19R3.171030 FC1CCCCC1Sc2nc3ccccc3[nH]2 62a_100015423560_100009814255 [0,1,0,0,0,0|3,0,0]=4 382 B19R3.171030 FC1CCCCC1Sc2nc3ccccc3s2 62a_100015423560_100000751744 [0,1,0,0,0,0|2,0,0]=3 383 B19R3.171030 FC1CCCCC1Sc2nc3cccnc3s2 62a_100010188088_100015423560 [0,1,0,0,0,0|3,0,0]=4 384 B19R3.171030 FC1CCCCC1Sc2nc3cccnc3s2 62a_100015423560_100010188088 [0,1,0,0,0,0|3,0,0]=4 385 B19R3.171030 F[C@@H]1CCCC[C@H]1Nc2nc3ccccc3s2 27a_100015195156_100000751744 [0,1,0,0,0,0|3,0,0]=4 386 B19R3.171030 F[C@H]1COCC[C@@H]1Nc2nc3ccccc3[nH]2 27a_100016994078_100009814255 [0,1,0,0,0,0|3,0,0]=4 387 B19R3.171030 F[C@H]1COCC[C@@H]1Nc2nc3ccccc3s2 27a_100016994078_100000751744 [0,1,0,0,0,0|2,0,0]=3 388 B19R3.171030 F[C@H]1COCC[C@@H]1Nc2nc3cccnc3s2 27a_100016994078_100010188088 [0,1,0,0,0,0|3,0,0]=4 389 B19R3.171030 O=C1CCCCC1Sc2nc3ccccc3s2 62a_100000204591_100000751744 [0,1,0,0,0,0|2,0,1]=4 390 B19R3.171030 OC1CCCCC1Sc2cc3ccccc3s2 62a_100000038908_100009816949 [0,1,0,0,0,0|3,0,0]=4 391 B19R3.171030 OC1CCCCC1Sc2nc3ccccc3[nH]2 62a_100000038908_100009814255 [0,1,0,0,0,0|3,0,0]=4 392 B19R3.171030 OC1CCCCC1Sc2nc3ccccc3s2 62a_100000038908_100000751744 [0,1,0,0,0,0|2,0,0]=3 393 B19R3.171030 OC1CCCCC1Sc2nc3cccnc3s2 62a_100000038908_100010188088 [0,1,0,0,0,0|3,0,0]=4 394 B19R3.171030 OC1CCCCC1Sc2nc3cccnc3s2 62a_100010188088_100000038908 [0,1,0,0,0,0|3,0,0]=4 395 B19R3.171030 O[C@H]1CCCC[C@H]1Nc2nc3ccccc3s2 27a_100015191688_100000751744 [0,1,0,0,0,0|3,0,0]=4 396 B19R3.171030 O[C@H]1COCC[C@H]1Nc2nc3ccccc3[nH]2 27a_100016994285_100009814255 [0,1,0,0,0,0|3,0,0]=4 397 B19R3.171030 O[C@H]1COCC[C@H]1Nc2nc3ccccc3s2 27a_100016994285_100000751744 [0,1,0,0,0,0|2,0,0]=3 398 B19R3.171030 O[C@H]1COCC[C@H]1Nc2nc3cccnc3s2 27a_100016994285_100010188088 [0,1,0,0,0,0|3,0,0]=4 399 B19R3.241821 C=C1CCN(CC1)Cc2cc3ccccc3s2 270004a_100000752442_100000686906 [0,1,0,0,0,0|3,0,0]=4 400 B19R3.241821 C=C1CCN(CC1)Cc2nc3ccccc3[nH]2 2230a_100000752442_100000737899 [0,1,0,0,0,0|3,0,0]=4 401 B19R3.241821 C=C1CCN(CC1)Cc2nc3ccccc3[nH]2 269982a_100000752442_100000737899 [0,1,0,0,0,0|3,0,0]=4 402 B19R3.241821 C=C1CCN(CC1)Cc2nc3ccccc3[nH]2 270004a_100000752442_100000185668 [0,1,0,0,0,0|3,0,0]=4 403 B19R3.241821 C=C1CCN(CC1)Cc2nc3ccccc3o2 2230a_100000752442_100000195508 [0,1,0,0,0,0|2,1,0]=4 404 B19R3.241821 C=C1CCN(CC1)Cc2nc3ccccc3o2 34a_100000752442_200012361514 [0,1,0,0,0,0|2,1,0]=4 405 B19R3.241821 C=C1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000752442_100000766747 [0,1,0,0,0,0|2,0,0]=3 406 B19R3.241821 C=C1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000752442_100011217541 [0,1,0,0,0,0|2,0,0]=3 407 B19R3.241821 C=C1CCN(CC1)Cc2nc3ccccc3s2 270004a_100000752442_100011204187 [0,1,0,0,0,0|2,0,0]=3 408 B19R3.241821 C=C1CCN(CC1)Cc2nc3ccccc3s2 34a_100000752442_100011217541 [0,1,0,0,0,0|2,0,0]=3 409 B19R3.241821 CC1=CCN(CC1)Cc2nc3ccccc3s2 2230a_100000693516_100000766747 [0,1,0,0,0,0|2,0,1]=4 410 B19R3.241821 CC1=CCN(CC1)Cc2nc3ccccc3s2 269982a_100000693516_100011217541 [0,1,0,0,0,0|2,0,1]=4 411 B19R3.241821 CC1=CCN(CC1)Cc2nc3ccccc3s2 270004a_100000693516_100011204187 [0,1,0,0,0,0|2,0,1]=4 412 B19R3.241821 CC1=CCN(CC1)Cc2nc3ccccc3s2 34a_100000693516_100011217541 [0,1,0,0,0,0|2,0,1]=4 413 B19R3.241821 CC1CCC(CC1)Sc2nc3cccnc3s2 62a_100010188088_200011216234 [0,1,0,0,0,0|3,0,0]=4 414 B19R3.241821 CC1CCN(CC1)Cc2cc3ccccc3s2 270004a_100000188429_100000686906 [0,1,0,0,0,0|3,0,0]=4 415 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3[nH]2 2230a_100000188429_100000737899 [0,1,0,0,0,0|3,0,0]=4 416 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3[nH]2 269982a_100000188429_100000737899 [0,1,0,0,0,0|3,0,0]=4 417 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3[nH]2 270004a_100000188429_100000185668 [0,1,0,0,0,0|3,0,0]=4 418 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3o2 2230a_100000188429_100000195508 [0,1,0,0,0,0|2,1,0]=4 419 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3o2 34a_100000188429_200012361514 [0,1,0,0,0,0|2,1,0]=4 420 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000188429_100000766747 [0,1,0,0,0,0|2,0,0]=3 421 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000188429_100011217541 [0,1,0,0,0,0|2,0,0]=3 422 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100000188429_100011204187 [0,1,0,0,0,0|2,0,0]=3 423 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 34a_100000188429_100011217541 [0,1,0,0,0,0|2,0,0]=3 424 B19R3.241821 CN1CCC(CC1)Nc2nc3ccccc3s2 27a_100000198570_100000751744 [0,1,0,0,0,0|3,0,0]=4 425 B19R3.241821 CN1CCC(CC1)Sc2nc3cccnc3s2 62a_100010188088_100011215917 [0,1,0,0,0,0|3,0,0]=4 426 B19R3.241821 CN1CCN(CC1)Cc2cc3ccccc3s2 270004a_100000188432_100000686906 [0,1,0,0,0,0|3,0,0]=4 427 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3[nH]2 2230a_100000188432_100000737899 [0,1,0,0,0,0|3,0,0]=4 428 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3[nH]2 2230a_100000748549_200000210301 [0,1,0,0,0,0|3,0,0]=4 429 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3[nH]2 269982a_100000188432_100000737899 [0,1,0,0,0,0|3,0,0]=4 430 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3[nH]2 269982a_100000748549_200000210301 [0,1,0,0,0,0|3,0,0]=4 431 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3[nH]2 270004a_100000188432_100000185668 [0,1,0,0,0,0|3,0,0]=4 432 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3o2 2230a_100000188432_100000195508 [0,1,0,0,0,0|2,1,0]=4 433 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000188432_100000766747 [0,1,0,0,0,0|2,0,0]=3 434 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000736601_200000210301 [0,1,0,0,0,0|2,0,0]=3 435 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000188432_100011217541 [0,1,0,0,0,0|2,0,0]=3 436 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000736601_200000210301 [0,1,0,0,0,0|2,0,0]=3 437 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3s2 270004a_100000188432_100011204187 [0,1,0,0,0,0|2,0,0]=3 438 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2nc3ccccc3s2 27a_100020625639_100000751744 [0,1,0,0,0,0|3,0,0]=4 439 B19R3.241821 FC1CCN(CC1)Cc2cc3ccccc3s2 270004a_100015193889_100000686906 [0,1,0,0,0,0|3,0,0]=4 440 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3[nH]2 2230a_100015193889_100000737899 [0,1,0,0,0,0|3,0,0]=4 441 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3[nH]2 269982a_100015193889_100000737899 [0,1,0,0,0,0|3,0,0]=4 442 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3[nH]2 270004a_100015193889_100000185668 [0,1,0,0,0,0|3,0,0]=4 443 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3o2 2230a_100015193889_100000195508 [0,1,0,0,0,0|2,1,0]=4 444 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3o2 34a_100015193889_200012361514 [0,1,0,0,0,0|2,1,0]=4 445 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100015193889_100000766747 [0,1,0,0,0,0|2,0,0]=3 446 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100015193889_100011217541 [0,1,0,0,0,0|2,0,0]=3 447 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100015193889_100011204187 [0,1,0,0,0,0|2,0,0]=3 448 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3s2 34a_100015193889_100011217541 [0,1,0,0,0,0|2,0,0]=3 449 B19R3.241821 O=S1CCN(CC1)Cc2cc3ccccc3s2 270004a_100000752083_100000686906 [0,1,0,0,0,0|2,1,0]=4 450 B19R3.241821 O=S1CCN(CC1)Cc2nc3ccccc3[nH]2 2230a_100000752083_100000737899 [0,1,0,0,0,0|2,1,0]=4 451 B19R3.241821 O=S1CCN(CC1)Cc2nc3ccccc3[nH]2 269982a_100000752083_100000737899 [0,1,0,0,0,0|2,1,0]=4 452 B19R3.241821 O=S1CCN(CC1)Cc2nc3ccccc3[nH]2 270004a_100000752083_100000185668 [0,1,0,0,0,0|2,1,0]=4 453 B19R3.241821 O=S1CCN(CC1)Cc2nc3ccccc3o2 2230a_100000752083_100000195508 [0,1,0,0,0,0|1,2,0]=4 454 B19R3.241821 O=S1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000752083_100000766747 [0,1,0,0,0,0|1,1,0]=3 455 B19R3.241821 O=S1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000752083_100011217541 [0,1,0,0,0,0|1,1,0]=3 456 B19R3.241821 O=S1CCN(CC1)Cc2nc3ccccc3s2 270004a_100000752083_100011204187 [0,1,0,0,0,0|1,1,0]=3 457 B19R3.241821 OC1CCN(CC1)Cc2cc3ccccc3s2 270004a_100025773856_100000686906 [0,1,0,0,0,0|3,0,0]=4 458 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3[nH]2 2230a_100025773856_100000737899 [0,1,0,0,0,0|3,0,0]=4 459 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3[nH]2 269982a_100025773856_100000737899 [0,1,0,0,0,0|3,0,0]=4 460 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3[nH]2 270004a_100025773856_100000185668 [0,1,0,0,0,0|3,0,0]=4 461 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3o2 2230a_100025773856_100000195508 [0,1,0,0,0,0|2,1,0]=4 462 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100025773856_100000766747 [0,1,0,0,0,0|2,0,0]=3 463 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100025773856_100011217541 [0,1,0,0,0,0|2,0,0]=3 464 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100025773856_100011204187 [0,1,0,0,0,0|2,0,0]=3 465 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2nc3ccccc3s2 27a_100020628982_100000751744 [0,1,0,0,0,0|3,0,0]=4 466 B19R3.241821 [13CH3]N1CCN(CC1)Cc2nc3ccccc3[nH]2 2230a_100000748549_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B19R3.241821 [13CH3]N1CCN(CC1)Cc2nc3ccccc3[nH]2 269982a_100000748549_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B19R3.241821 [13CH3]N1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000736601_200025704644 [0,1,0,0,0,0|2,0,0]=3 469 B19R3.241821 [13CH3]N1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000736601_200025704644 [0,1,0,0,0,0|2,0,0]=3 470 B19R3.1799922 CC(c1nc2ccccc2[nH]1)N3CCOCC3 270004a_100015191051_100000199114 [0,1,0,0,0,0|2,0,0]=3 471 B19R3.1799922 CC(c1nc2ccccc2[nH]1)N3CCSCC3 270004a_100000737611_100000199114 [0,1,0,0,0,0|2,1,0]=4 472 B19R3.1799922 CN(c1nc2ccccc2[nH]1)C3CCOCC3 27a_100020587155_100009814255 [0,1,0,0,0,0|3,0,0]=4 473 B19R3.1799922 CN(c1nc2ccccc2s1)C3CCCCC3 27a_100000207522_100000751744 [0,1,0,0,0,0|3,0,0]=4 474 B19R3.1799922 CN(c1nc2ccccc2s1)C3CCOCC3 27a_100020587155_100000751744 [0,1,0,0,0,0|2,0,0]=3 475 B19R3.1799922 CN(c1nc2ccccc2s1)C3CCSCC3 27a_100015184757_100000751744 [0,1,0,0,0,0|2,1,0]=4 476 B19R3.1799922 CN(c1nc2cccnc2s1)C3CCOCC3 27a_100020587155_100010188088 [0,1,0,0,0,0|3,0,0]=4 477 B19R3.1799922 O=C(C1=Cc2ccccc2C1)N3CCOCC3 11a_100015191051_100009862756 [0,1,0,0,0,0|3,0,0]=4 478 B19R3.1799922 O=C(C1=Cc2ccccc2C1)N3CCOCC3 1626a_100015191051_100009862756 [0,1,0,0,0,0|3,0,0]=4 479 B19R3.1799922 O=C(C1=Cc2ccccc2C1)N3CCOCC3 240690a_100015191051_100009862756 [0,1,0,0,0,0|3,0,0]=4 480 B19R3.1799922 O=C(C1Cc2ccccc2S1)N3CCOCC3 11a_100015191051_100000024912 [0,1,0,0,0,0|2,0,1]=4 481 B19R3.1799922 O=C(C1Cc2ccccc2S1)N3CCOCC3 1626a_100015191051_100000024912 [0,1,0,0,0,0|2,0,1]=4 482 B19R3.1799922 O=C(C1Cc2ccccc2S1)N3CCOCC3 240690a_100015191051_100000024912 [0,1,0,0,0,0|2,0,1]=4 483 B19R3.1799922 O=C(C1Cc2ccccc2S1)N3CCOCC3 527a_100015191051_100000024912 [0,1,0,0,0,0|2,0,1]=4 484 B19R3.7620222 CC1(CCOCC1)Nc2nc3ccccc3[nH]2 27a_100000692449_100009814255 [0,1,0,0,0,0|3,0,0]=4 485 B19R3.7620222 CC1(CCOCC1)Nc2nc3ccccc3s2 27a_100000692449_100000751744 [0,1,0,0,0,0|2,0,0]=3 486 B19R3.7620222 CC1(CCOCC1)Nc2nc3cccnc3s2 27a_100000692449_100010188088 [0,1,0,0,0,0|3,0,0]=4 487 B17R2.143 O=C(CN1CCOCC1)Nc2ccccc2 11a_100000106764_100000740321 [0,0,1,0,0,0|1,1,1]=4 488 B17R2.143 O=C(CN1CCOCC1)Nc2ccccc2 2230a_100015191051_100000182850 [0,0,1,0,0,0|1,1,1]=4 489 B17R2.143 O=C(CN1CCOCC1)Nc2ccccc2 22a_100000106764_100000740321 [0,0,1,0,0,0|1,1,1]=4 490 B17R2.143 O=C(CN1CCOCC1)Nc2ccccc2 269982a_100015191051_100000182850 [0,0,1,0,0,0|1,1,1]=4 491 B17R2.143 O=C(CN1CCOCC1)Nc2ccccc2 34a_100015191051_100000182850 [0,0,1,0,0,0|1,1,1]=4 492 B17R2.143 O=C(CN1CCOCC1)Nc2ccccc2 527a_100000106764_100000740321 [0,0,1,0,0,0|1,1,1]=4 493 B17R2.143 O=C(CN1CCOCC1)Oc2ccccc2 2230a_100015191051_100009813826 [0,0,1,0,0,0|2,1,0]=4 494 B17R2.143 O=C(CN1CCOCC1)Oc2ccccc2 269982a_100015191051_100009813826 [0,0,1,0,0,0|2,1,0]=4 495 B17R2.143 O=C(CN1CCOCC1)Oc2ccccc2 34a_100015191051_100009813826 [0,0,1,0,0,0|2,1,0]=4 496 B17R2.143 O=C(Cc1ccccc1)CN2CCOCC2 1458a_100000740321_100015291786 [0,0,1,0,0,0|2,1,0]=4 497 B17R2.143 O=C(Cc1ccccc1)CN2CCOCC2 2230a_100015191051_100000233483 [0,0,1,0,0,0|2,1,0]=4 498 B17R2.143 O=C(Cc1ccccc1)CN2CCOCC2 269982a_100015191051_100000233483 [0,0,1,0,0,0|2,1,0]=4 499 B17R2.2069 C#CCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000688953 [0,0,1,0,0,0|2,0,1]=4 500 B17R2.2069 C#CCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000730999 [0,0,1,0,0,0|2,0,1]=4 501 B17R2.2069 C/C=C/CN(C)Cc1nc2ccccc2s1 269982a_100000204650_100102629194 [0,0,1,0,0,0|2,0,1]=4 502 B17R2.2069 C=CCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000754431 [0,0,1,0,0,0|2,0,1]=4 503 B17R2.2069 C=CCCN(C)Cc1nc2ccccc2s1 2230a_100020639649_100000766747 [0,0,1,0,0,0|2,0,1]=4 504 B17R2.2069 C=CCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000754431 [0,0,1,0,0,0|2,0,1]=4 505 B17R2.2069 C=CCCN(C)Cc1nc2ccccc2s1 269982a_100020639649_100011217541 [0,0,1,0,0,0|2,0,1]=4 506 B17R2.2069 C=CCCN(C)Cc1nc2ccccc2s1 270004a_100020639649_100011204187 [0,0,1,0,0,0|2,0,1]=4 507 B17R2.2069 CC#CCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000748600 [0,0,1,0,0,0|2,0,1]=4 508 B17R2.2069 CC=CCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000070051 [0,0,1,0,0,0|2,0,1]=4 509 B17R2.2069 CCCCC(C)Nc1nc2ccccc2s1 27a_100000126638_100000751744 [0,0,1,0,0,0|3,0,0]=4 510 B17R2.2069 CCCCC(C)Sc1cc2ccccc2s1 62a_200011215066_100009816949 [0,0,1,0,0,0|3,0,0]=4 511 B17R2.2069 CCCCC(C)Sc1nc2ccccc2[nH]1 62a_200011215066_100009814255 [0,0,1,0,0,0|3,0,0]=4 512 B17R2.2069 CCCCC(C)Sc1nc2ccccc2s1 62a_200011215066_100000751744 [0,0,1,0,0,0|2,0,0]=3 513 B17R2.2069 CCCCC(C)Sc1nc2cccnc2s1 62a_100010188088_200011215066 [0,0,1,0,0,0|3,0,0]=4 514 B17R2.2069 CCCCC(C)Sc1nc2cccnc2s1 62a_200011215066_100010188088 [0,0,1,0,0,0|3,0,0]=4 515 B17R2.2069 CCCCN(C)Cc1cc2ccccc2s1 2230a_100015183267_100000210211 [0,0,1,0,0,0|3,0,0]=4 516 B17R2.2069 CCCCN(C)Cc1cc2ccccc2s1 269982a_100015183267_100000210211 [0,0,1,0,0,0|3,0,0]=4 517 B17R2.2069 CCCCN(C)Cc1cc2ccccc2s1 270004a_100000207549_100000686906 [0,0,1,0,0,0|3,0,0]=4 518 B17R2.2069 CCCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000207549_100000737899 [0,0,1,0,0,0|3,0,0]=4 519 B17R2.2069 CCCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_100000210211 [0,0,1,0,0,0|3,0,0]=4 520 B17R2.2069 CCCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000207549_100000737899 [0,0,1,0,0,0|3,0,0]=4 521 B17R2.2069 CCCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_100000210211 [0,0,1,0,0,0|3,0,0]=4 522 B17R2.2069 CCCCN(C)Cc1nc2ccccc2[nH]1 270004a_100000207549_100000185668 [0,0,1,0,0,0|3,0,0]=4 523 B17R2.2069 CCCCN(C)Cc1nc2ccccc2o1 2230a_100000207549_100000195508 [0,0,1,0,0,0|2,1,0]=4 524 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000210211 [0,0,1,0,0,0|2,0,0]=3 525 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 2230a_100000207549_100000766747 [0,0,1,0,0,0|2,0,0]=3 526 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000210211 [0,0,1,0,0,0|2,0,0]=3 527 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 269982a_100000207549_100011217541 [0,0,1,0,0,0|2,0,0]=3 528 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 270004a_100000207549_100011204187 [0,0,1,0,0,0|2,0,0]=3 529 B17R2.2069 CCOCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000739092 [0,0,1,0,0,0|3,0,0]=4 530 B17R2.2069 CN(CCC#N)Cc1nc2ccccc2s1 2230a_100000184479_100000766747 [0,0,1,0,0,0|3,0,0]=4 531 B17R2.2069 CN(CCC#N)Cc1nc2ccccc2s1 2230a_100000204650_100011215226 [0,0,1,0,0,0|3,0,0]=4 532 B17R2.2069 CN(CCC#N)Cc1nc2ccccc2s1 269982a_100000204650_100011215226 [0,0,1,0,0,0|3,0,0]=4 533 B17R2.2069 CN(CCC#N)Cc1nc2ccccc2s1 270004a_100000184479_100011204187 [0,0,1,0,0,0|3,0,0]=4 534 B17R2.2069 CN(CCCF)Cc1nc2ccccc2s1 2230a_100000204650_100011934791 [0,0,1,0,0,0|3,0,0]=4 535 B17R2.2069 CN(CCCF)Cc1nc2ccccc2s1 269982a_100000204650_100011934791 [0,0,1,0,0,0|3,0,0]=4 536 B17R2.2069 CN(CCCO)Cc1nc2ccccc2s1 2230a_100000204650_100000230001 [0,0,1,0,0,0|3,0,0]=4 537 B17R2.2069 CN(CCCO)Cc1nc2ccccc2s1 2230a_100000213112_100000766747 [0,0,1,0,0,0|3,0,0]=4 538 B17R2.2069 CN(CCCO)Cc1nc2ccccc2s1 269982a_100000204650_100011215043 [0,0,1,0,0,0|3,0,0]=4 539 B17R2.2069 CN(CCCO)Cc1nc2ccccc2s1 269982a_100000213112_100011217541 [0,0,1,0,0,0|3,0,0]=4 540 B17R2.2069 CN(CCCO)Cc1nc2ccccc2s1 270004a_100000213112_100011204187 [0,0,1,0,0,0|3,0,0]=4 541 B17R2.2069 COCCC(=O)Cc1nc2ccccc2s1 1458a_100000749529_100011217541 [0,0,1,0,0,0|3,0,0]=4 542 B17R2.2069 COCCN(C)Cc1cc2ccccc2[nH]1 2230a_100000685833_100011201679 [0,0,1,0,0,0|2,0,1]=4 543 B17R2.2069 COCCN(C)Cc1cc2ccccc2[nH]1 269982a_100000685833_100000233755 [0,0,1,0,0,0|2,0,1]=4 544 B17R2.2069 COCCN(C)Cc1cc2ccccc2[nH]1 270004a_100000743101_100000051030 [0,0,1,0,0,0|2,0,1]=4 545 B17R2.2069 COCCN(C)Cc1cc2ccccc2o1 270004a_100000743101_100000229944 [0,0,1,0,0,0|2,1,0]=4 546 B17R2.2069 COCCN(C)Cc1cc2ccccc2s1 2230a_100015183267_100011201679 [0,0,1,0,0,0|2,0,0]=3 547 B17R2.2069 COCCN(C)Cc1cc2ccccc2s1 269982a_100015183267_100000233755 [0,0,1,0,0,0|2,0,0]=3 548 B17R2.2069 COCCN(C)Cc1cc2ccccc2s1 270004a_100000743101_100000686906 [0,0,1,0,0,0|2,0,0]=3 549 B17R2.2069 COCCN(C)Cc1cc2cccnc2s1 270004a_100000743101_100000050461 [0,0,1,0,0,0|3,0,0]=4 550 B17R2.2069 COCCN(C)Cc1cc2cnccc2s1 270004a_100000743101_100000054438 [0,0,1,0,0,0|3,0,0]=4 551 B17R2.2069 COCCN(C)Cc1cn2ccccc2n1 2230a_100000743101_100000689847 [0,0,1,0,0,0|3,0,0]=4 552 B17R2.2069 COCCN(C)Cc1cn2ccccc2n1 269982a_100000743101_100000689847 [0,0,1,0,0,0|3,0,0]=4 553 B17R2.2069 COCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_100011201679 [0,0,1,0,0,0|2,0,0]=3 554 B17R2.2069 COCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000743101_100000737899 [0,0,1,0,0,0|2,0,0]=3 555 B17R2.2069 COCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_100000233755 [0,0,1,0,0,0|2,0,0]=3 556 B17R2.2069 COCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000743101_100000737899 [0,0,1,0,0,0|2,0,0]=3 557 B17R2.2069 COCCN(C)Cc1nc2ccccc2[nH]1 270004a_100000743101_100000185668 [0,0,1,0,0,0|2,0,0]=3 558 B17R2.2069 COCCN(C)Cc1nc2ccccc2o1 2230a_100000743101_100000195508 [0,0,1,0,0,0|1,1,0]=3 559 B17R2.2069 COCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100011201679 [0,0,1,0,0,0|1,0,0]=2 560 B17R2.2069 COCCN(C)Cc1nc2ccccc2s1 2230a_100000743101_100000766747 [0,0,1,0,0,0|1,0,0]=2 561 B17R2.2069 COCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000233755 [0,0,1,0,0,0|1,0,0]=2 562 B17R2.2069 COCCN(C)Cc1nc2ccccc2s1 269982a_100000743101_100011217541 [0,0,1,0,0,0|1,0,0]=2 563 B17R2.2069 COCCN(C)Cc1nc2ccccc2s1 270004a_100000743101_100011204187 [0,0,1,0,0,0|1,0,0]=2 564 B17R2.2069 COCCN(C)Cc1nc2cccnc2[nH]1 2230a_100000743101_100011549802 [0,0,1,0,0,0|3,0,0]=4 565 B17R2.2069 COCCN(C)Cc1nc2ncccc2o1 2230a_100000743101_100000696355 [0,0,1,0,0,0|2,1,0]=4 566 B17R2.2069 CSCCN(C)Cc1cc2ccccc2s1 2230a_100015183267_100000751147 [0,0,1,0,0,0|2,1,0]=4 567 B17R2.2069 CSCCN(C)Cc1cc2ccccc2s1 269982a_100015183267_100000212216 [0,0,1,0,0,0|2,1,0]=4 568 B17R2.2069 CSCCN(C)Cc1cc2ccccc2s1 270004a_100000686725_100000686906 [0,0,1,0,0,0|2,1,0]=4 569 B17R2.2069 CSCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000686725_100000737899 [0,0,1,0,0,0|2,1,0]=4 570 B17R2.2069 CSCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_100000751147 [0,0,1,0,0,0|2,1,0]=4 571 B17R2.2069 CSCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000686725_100000737899 [0,0,1,0,0,0|2,1,0]=4 572 B17R2.2069 CSCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_100000212216 [0,0,1,0,0,0|2,1,0]=4 573 B17R2.2069 CSCCN(C)Cc1nc2ccccc2[nH]1 270004a_100000686725_100000185668 [0,0,1,0,0,0|2,1,0]=4 574 B17R2.2069 CSCCN(C)Cc1nc2ccccc2o1 2230a_100000686725_100000195508 [0,0,1,0,0,0|1,2,0]=4 575 B17R2.2069 CSCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000751147 [0,0,1,0,0,0|1,1,0]=3 576 B17R2.2069 CSCCN(C)Cc1nc2ccccc2s1 2230a_100000686725_100000766747 [0,0,1,0,0,0|1,1,0]=3 577 B17R2.2069 CSCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000212216 [0,0,1,0,0,0|1,1,0]=3 578 B17R2.2069 CSCCN(C)Cc1nc2ccccc2s1 269982a_100000686725_100011217541 [0,0,1,0,0,0|1,1,0]=3 579 B17R2.2069 CSCCN(C)Cc1nc2ccccc2s1 270004a_100000686725_100011204187 [0,0,1,0,0,0|1,1,0]=3 580 B17R2.2569 CC/C=C\CCSc1nc2ccccc2s1 62a_100015370543_100000751744 [0,0,1,0,0,0|2,0,1]=4 581 B17R2.2569 CCCCCC=Cc1nc2ccccc2s1 271570a_100000062253_100000751744 [0,0,1,0,0,0|3,0,0]=4 582 B17R2.2569 CCCCCCNc1nc2ccccc2s1 27a_100000210581_100000751744 [0,0,1,0,0,0|3,0,0]=4 583 B17R2.2569 CCCCCCSc1cc2ccccc2s1 62a_100000210314_100009816949 [0,0,1,0,0,0|3,0,0]=4 584 B17R2.2569 CCCCCCSc1nc2ccccc2[nH]1 62a_100000210314_100009814255 [0,0,1,0,0,0|3,0,0]=4 585 B17R2.2569 CCCCCCSc1nc2ccccc2s1 62a_100000210314_100000751744 [0,0,1,0,0,0|2,0,0]=3 586 B17R2.2569 CCCCCCSc1nc2cccnc2s1 62a_100000210314_100010188088 [0,0,1,0,0,0|3,0,0]=4 587 B17R2.2569 CCCCCCSc1nc2cccnc2s1 62a_100010188088_100000210757 [0,0,1,0,0,0|3,0,0]=4 588 B17R2.2569 CCCCCNCc1cc2ccccc2s1 207a_100000209983_100000686906 [0,0,1,0,0,0|3,0,0]=4 589 B17R2.2569 CCCCCNCc1cc2ccccc2s1 2230a_100015187092_100000210326 [0,0,1,0,0,0|3,0,0]=4 590 B17R2.2569 CCCCCNCc1cc2ccccc2s1 270004a_100000209983_100000686906 [0,0,1,0,0,0|3,0,0]=4 591 B17R2.2569 CCCCCNCc1nc2ccccc2[nH]1 207a_100000209983_100000185668 [0,0,1,0,0,0|3,0,0]=4 592 B17R2.2569 CCCCCNCc1nc2ccccc2[nH]1 2230a_100000209983_100000737899 [0,0,1,0,0,0|3,0,0]=4 593 B17R2.2569 CCCCCNCc1nc2ccccc2[nH]1 270004a_100000209983_100000185668 [0,0,1,0,0,0|3,0,0]=4 594 B17R2.2569 CCCCCNCc1nc2ccccc2o1 2230a_100000209983_100000195508 [0,0,1,0,0,0|2,1,0]=4 595 B17R2.2569 CCCCCNCc1nc2ccccc2s1 2230a_100000209983_100000766747 [0,0,1,0,0,0|2,0,0]=3 596 B17R2.2569 CCCCCNCc1nc2ccccc2s1 270004a_100000209983_100011204187 [0,0,1,0,0,0|2,0,0]=3 597 B17R2.2569 CCCCCOCc1nc2ccccc2s1 34a_100000210253_100011217541 [0,0,1,0,0,0|3,0,0]=4 598 B17R2.2569 CCCCCOCc1nc2ccccc2s1 7a_100000210253_100011217541 [0,0,1,0,0,0|3,0,0]=4 599 B17R2.2569 CCCCCSCc1nc2ccccc2s1 62a_100000210326_100000766747 [0,0,1,0,0,0|3,0,0]=4 600 B17R2.2569 CCCCCSCc1nc2ccccc2s1 62a_100011217541_100000210326 [0,0,1,0,0,0|3,0,0]=4 601 B17R2.2569 CCCCOCSc1nc2ccccc2s1 62a_100011995733_100000751744 [0,0,1,0,0,0|3,0,0]=4 602 B17R2.2569 CCCOCCSc1nc2ccccc2s1 62a_100011215938_100000751744 [0,0,1,0,0,0|3,0,0]=4 603 B17R2.2569 CCOCCCNc1nc2ccccc2[nH]1 27a_100000210961_100009814255 [0,0,1,0,0,0|3,0,0]=4 604 B17R2.2569 CCOCCCNc1nc2ccccc2s1 27a_100000210961_100000751744 [0,0,1,0,0,0|2,0,0]=3 605 B17R2.2569 CCOCCCNc1nc2cccnc2s1 27a_100000210961_100010188088 [0,0,1,0,0,0|3,0,0]=4 606 B17R2.2569 CCOCCCSc1cc2ccccc2[nH]1 62a_100012232248_100010232065 [0,0,1,0,0,0|2,0,1]=4 607 B17R2.2569 CCOCCCSc1cc2ccccc2o1 62a_100012232248_100010159458 [0,0,1,0,0,0|2,1,0]=4 608 B17R2.2569 CCOCCCSc1cc2ccccc2s1 62a_100012232248_100009816949 [0,0,1,0,0,0|2,0,0]=3 609 B17R2.2569 CCOCCCSc1cn2ccccc2n1 62a_100012232248_100009819586 [0,0,1,0,0,0|3,0,0]=4 610 B17R2.2569 CCOCCCSc1nc2ccccc2[nH]1 62a_100012232248_100009814255 [0,0,1,0,0,0|2,0,0]=3 611 B17R2.2569 CCOCCCSc1nc2ccccc2s1 62a_100012232248_100000751744 [0,0,1,0,0,0|1,0,0]=2 612 B17R2.2569 CCOCCCSc1nc2cccnc2s1 62a_100010188088_100012232248 [0,0,1,0,0,0|2,0,0]=3 613 B17R2.2569 CCOCCCSc1nc2cccnc2s1 62a_100012232248_100010188088 [0,0,1,0,0,0|2,0,0]=3 614 B17R2.2569 CCOCCNCc1cc2ccccc2[nH]1 270004a_102516460346_100000051030 [0,0,1,0,0,0|2,0,1]=4 615 B17R2.2569 CCOCCNCc1cc2ccccc2o1 207a_100011200944_100000229944 [0,0,1,0,0,0|2,1,0]=4 616 B17R2.2569 CCOCCNCc1cc2ccccc2o1 270004a_102516460346_100000229944 [0,0,1,0,0,0|2,1,0]=4 617 B17R2.2569 CCOCCNCc1cc2ccccc2s1 207a_100011200944_100000686906 [0,0,1,0,0,0|2,0,0]=3 618 B17R2.2569 CCOCCNCc1cc2ccccc2s1 2230a_100015187092_100011215890 [0,0,1,0,0,0|2,0,0]=3 619 B17R2.2569 CCOCCNCc1cc2ccccc2s1 270004a_102516460346_100000686906 [0,0,1,0,0,0|2,0,0]=3 620 B17R2.2569 CCOCCNCc1cc2cccnc2s1 207a_100011200944_100000050461 [0,0,1,0,0,0|3,0,0]=4 621 B17R2.2569 CCOCCNCc1cc2cccnc2s1 270004a_102516460346_100000050461 [0,0,1,0,0,0|3,0,0]=4 622 B17R2.2569 CCOCCNCc1cc2cnccc2s1 207a_100011200944_100000054438 [0,0,1,0,0,0|3,0,0]=4 623 B17R2.2569 CCOCCNCc1cc2cnccc2s1 270004a_102516460346_100000054438 [0,0,1,0,0,0|3,0,0]=4 624 B17R2.2569 CCOCCNCc1cn2ccccc2n1 207a_100011200944_100000743146 [0,0,1,0,0,0|3,0,0]=4 625 B17R2.2569 CCOCCNCc1cn2ccccc2n1 2230a_102516460346_100000689847 [0,0,1,0,0,0|3,0,0]=4 626 B17R2.2569 CCOCCNCc1cn2ccccc2n1 34a_102516460346_100000689847 [0,0,1,0,0,0|3,0,0]=4 627 B17R2.2569 CCOCCNCc1nc2ccccc2[nH]1 207a_100011200944_100000185668 [0,0,1,0,0,0|2,0,0]=3 628 B17R2.2569 CCOCCNCc1nc2ccccc2[nH]1 2230a_102516460346_100000737899 [0,0,1,0,0,0|2,0,0]=3 629 B17R2.2569 CCOCCNCc1nc2ccccc2[nH]1 270004a_102516460346_100000185668 [0,0,1,0,0,0|2,0,0]=3 630 B17R2.2569 CCOCCNCc1nc2ccccc2o1 2230a_102516460346_100000195508 [0,0,1,0,0,0|1,1,0]=3 631 B17R2.2569 CCOCCNCc1nc2ccccc2o1 34a_102516460346_200012361514 [0,0,1,0,0,0|1,1,0]=3 632 B17R2.2569 CCOCCNCc1nc2ccccc2s1 2230a_102516460346_100000766747 [0,0,1,0,0,0|1,0,0]=2 633 B17R2.2569 CCOCCNCc1nc2ccccc2s1 270004a_102516460346_100011204187 [0,0,1,0,0,0|1,0,0]=2 634 B17R2.2569 CCOCCNCc1nc2ccccc2s1 34a_102516460346_100011217541 [0,0,1,0,0,0|1,0,0]=2 635 B17R2.2569 CCOCCNCc1nc2cccnc2[nH]1 2230a_102516460346_100011549802 [0,0,1,0,0,0|3,0,0]=4 636 B17R2.2569 CCOCCNCc1nc2ncccc2o1 2230a_102516460346_100000696355 [0,0,1,0,0,0|2,1,0]=4 637 B17R2.2569 CCOCCNN=C1Cc2ccccc2C1 4a_100000732670_100000211675 [0,0,1,0,0,0|3,0,0]=4 638 B17R2.2569 CCOCCOCc1nc2ccccc2[nH]1 7a_100000210136_100000737899 [0,0,1,0,0,0|3,0,0]=4 639 B17R2.2569 CCOCCOCc1nc2ccccc2o1 34a_100000210136_200012361514 [0,0,1,0,0,0|2,1,0]=4 640 B17R2.2569 CCOCCOCc1nc2ccccc2o1 7a_100000210136_100000195508 [0,0,1,0,0,0|2,1,0]=4 641 B17R2.2569 CCOCCOCc1nc2ccccc2s1 34a_100000210136_100011217541 [0,0,1,0,0,0|2,0,0]=3 642 B17R2.2569 CCOCCOCc1nc2ccccc2s1 7a_100000210136_100011217541 [0,0,1,0,0,0|2,0,0]=3 643 B17R2.2569 CCOCCSCc1nc2ccccc2[nH]1 62a_100000210147_100000737899 [0,0,1,0,0,0|3,0,0]=4 644 B17R2.2569 CCOCCSCc1nc2ccccc2[nH]1 7a_100015184497_100000210202 [0,0,1,0,0,0|3,0,0]=4 645 B17R2.2569 CCOCCSCc1nc2ccccc2o1 62a_100000210147_100000195508 [0,0,1,0,0,0|2,1,0]=4 646 B17R2.2569 CCOCCSCc1nc2ccccc2s1 62a_100000210147_100000766747 [0,0,1,0,0,0|2,0,0]=3 647 B17R2.2569 CCOCCSCc1nc2ccccc2s1 62a_100011217541_100011215890 [0,0,1,0,0,0|2,0,0]=3 648 B17R2.2569 CCSCCNCc1cc2ccccc2s1 207a_100000106463_100000686906 [0,0,1,0,0,0|2,1,0]=4 649 B17R2.2569 CCSCCNCc1cc2ccccc2s1 2230a_100015187092_100000757381 [0,0,1,0,0,0|2,1,0]=4 650 B17R2.2569 CCSCCNCc1cc2ccccc2s1 270004a_100000106463_100000686906 [0,0,1,0,0,0|2,1,0]=4 651 B17R2.2569 CCSCCNCc1nc2ccccc2[nH]1 207a_100000106463_100000185668 [0,0,1,0,0,0|2,1,0]=4 652 B17R2.2569 CCSCCNCc1nc2ccccc2[nH]1 2230a_100000106463_100000737899 [0,0,1,0,0,0|2,1,0]=4 653 B17R2.2569 CCSCCNCc1nc2ccccc2[nH]1 270004a_100000106463_100000185668 [0,0,1,0,0,0|2,1,0]=4 654 B17R2.2569 CCSCCNCc1nc2ccccc2o1 2230a_100000106463_100000195508 [0,0,1,0,0,0|1,2,0]=4 655 B17R2.2569 CCSCCNCc1nc2ccccc2s1 2230a_100000106463_100000766747 [0,0,1,0,0,0|1,1,0]=3 656 B17R2.2569 CCSCCNCc1nc2ccccc2s1 270004a_100000106463_100011204187 [0,0,1,0,0,0|1,1,0]=3 657 B17R2.2569 CCSCCOCc1nc2ccccc2s1 34a_100000212035_100011217541 [0,0,1,0,0,0|2,1,0]=4 658 B17R2.2569 CCSCCOCc1nc2ccccc2s1 7a_100000212035_100011217541 [0,0,1,0,0,0|2,1,0]=4 659 B17R2.2569 CCSCCSCc1nc2ccccc2s1 62a_100000757381_100000766747 [0,0,1,0,0,0|2,1,0]=4 660 B17R2.2569 CCSCCSCc1nc2ccccc2s1 62a_100011217541_100000757381 [0,0,1,0,0,0|2,1,0]=4 661 B17R2.2569 COCCCCSc1nc2ccccc2s1 62a_100000730899_100000751744 [0,0,1,0,0,0|3,0,0]=4 662 B17R2.2569 COCCCNCc1nc2ccccc2s1 270004a_100150723488_100011204187 [0,0,1,0,0,0|3,0,0]=4 663 B17R2.2569 COCCCNCc1nc2ccccc2s1 34a_100150723488_100011217541 [0,0,1,0,0,0|3,0,0]=4 664 B17R2.2569 CSCCCNCc1nc2ccccc2s1 2230a_100000749238_100000766747 [0,0,1,0,0,0|3,0,0]=4 665 B17R2.2569 CSCCCNCc1nc2ccccc2s1 270004a_100000749238_100011204187 [0,0,1,0,0,0|3,0,0]=4 666 B17R2.2569 FCCCCCSc1nc2ccccc2s1 62a_100000729378_100000751744 [0,0,1,0,0,0|3,0,0]=4 667 B17R2.2569 OCCCCCSc1nc2ccccc2s1 62a_100000746330_100000751744 [0,0,1,0,0,0|3,0,0]=4 668 B17R2.2569 OCCCCNCc1nc2ccccc2s1 2230a_100000750430_100000766747 [0,0,1,0,0,0|3,0,0]=4 669 B17R2.2569 OCCCCNCc1nc2ccccc2s1 270004a_100000750430_100011204187 [0,0,1,0,0,0|3,0,0]=4 670 B17R2.2569 OCCCCNCc1nc2ccccc2s1 34a_100000750430_100011217541 [0,0,1,0,0,0|3,0,0]=4 671 B17R2.3569 C#CCN(CC)Cc1nc2ccccc2s1 2230a_100000744766_100000766747 [0,0,1,0,0,0|2,0,1]=4 672 B17R2.3569 C#CCN(CC)Cc1nc2ccccc2s1 269982a_100000744766_100011217541 [0,0,1,0,0,0|2,0,1]=4 673 B17R2.3569 C#CCN(CC)Cc1nc2ccccc2s1 270004a_100000744766_100011204187 [0,0,1,0,0,0|2,0,1]=4 674 B17R2.3569 CCCC(CC)Nc1nc2ccccc2s1 27a_100000747048_100000751744 [0,0,1,0,0,0|3,0,0]=4 675 B17R2.3569 CCCC(CC)Sc1cc2ccccc2s1 62a_100011219200_100009816949 [0,0,1,0,0,0|3,0,0]=4 676 B17R2.3569 CCCC(CC)Sc1nc2ccccc2[nH]1 62a_100011219200_100009814255 [0,0,1,0,0,0|3,0,0]=4 677 B17R2.3569 CCCC(CC)Sc1nc2ccccc2s1 62a_100011219200_100000751744 [0,0,1,0,0,0|2,0,0]=3 678 B17R2.3569 CCCC(CC)Sc1nc2cccnc2s1 62a_100010188088_100011219200 [0,0,1,0,0,0|3,0,0]=4 679 B17R2.3569 CCCC(CC)Sc1nc2cccnc2s1 62a_100011219200_100010188088 [0,0,1,0,0,0|3,0,0]=4 680 B17R2.3569 CCCN(CC)Cc1cc2ccccc2s1 270004a_100000226822_100000686906 [0,0,1,0,0,0|3,0,0]=4 681 B17R2.3569 CCCN(CC)Cc1nc2ccccc2[nH]1 2230a_100000226822_100000737899 [0,0,1,0,0,0|3,0,0]=4 682 B17R2.3569 CCCN(CC)Cc1nc2ccccc2[nH]1 269982a_100000226822_100000737899 [0,0,1,0,0,0|3,0,0]=4 683 B17R2.3569 CCCN(CC)Cc1nc2ccccc2[nH]1 270004a_100000226822_100000185668 [0,0,1,0,0,0|3,0,0]=4 684 B17R2.3569 CCCN(CC)Cc1nc2ccccc2o1 2230a_100000226822_100000195508 [0,0,1,0,0,0|2,1,0]=4 685 B17R2.3569 CCCN(CC)Cc1nc2ccccc2s1 2230a_100000226822_100000766747 [0,0,1,0,0,0|2,0,0]=3 686 B17R2.3569 CCCN(CC)Cc1nc2ccccc2s1 269982a_100000226822_100011217541 [0,0,1,0,0,0|2,0,0]=3 687 B17R2.3569 CCCN(CC)Cc1nc2ccccc2s1 270004a_100000226822_100011204187 [0,0,1,0,0,0|2,0,0]=3 688 B17R2.3569 CCN(CCO)Cc1cc2ccccc2[nH]1 270004a_100000210973_100000051030 [0,0,1,0,0,0|2,0,1]=4 689 B17R2.3569 CCN(CCO)Cc1cc2ccccc2o1 270004a_100000210973_100000229944 [0,0,1,0,0,0|2,1,0]=4 690 B17R2.3569 CCN(CCO)Cc1cc2ccccc2s1 270004a_100000210973_100000686906 [0,0,1,0,0,0|2,0,0]=3 691 B17R2.3569 CCN(CCO)Cc1cc2cccnc2s1 270004a_100000210973_100000050461 [0,0,1,0,0,0|3,0,0]=4 692 B17R2.3569 CCN(CCO)Cc1cc2cnccc2s1 270004a_100000210973_100000054438 [0,0,1,0,0,0|3,0,0]=4 693 B17R2.3569 CCN(CCO)Cc1cn2ccccc2n1 2230a_100000210973_100000689847 [0,0,1,0,0,0|3,0,0]=4 694 B17R2.3569 CCN(CCO)Cc1cn2ccccc2n1 269982a_100000210973_100000689847 [0,0,1,0,0,0|3,0,0]=4 695 B17R2.3569 CCN(CCO)Cc1nc2ccccc2[nH]1 2230a_100000210973_100000737899 [0,0,1,0,0,0|2,0,0]=3 696 B17R2.3569 CCN(CCO)Cc1nc2ccccc2[nH]1 269982a_100000210973_100000737899 [0,0,1,0,0,0|2,0,0]=3 697 B17R2.3569 CCN(CCO)Cc1nc2ccccc2[nH]1 270004a_100000210973_100000185668 [0,0,1,0,0,0|2,0,0]=3 698 B17R2.3569 CCN(CCO)Cc1nc2ccccc2o1 2230a_100000210973_100000195508 [0,0,1,0,0,0|1,1,0]=3 699 B17R2.3569 CCN(CCO)Cc1nc2ccccc2s1 2230a_100000210973_100000766747 [0,0,1,0,0,0|1,0,0]=2 700 B17R2.3569 CCN(CCO)Cc1nc2ccccc2s1 269982a_100000210973_100011217541 [0,0,1,0,0,0|1,0,0]=2 701 B17R2.3569 CCN(CCO)Cc1nc2ccccc2s1 270004a_100000210973_100011204187 [0,0,1,0,0,0|1,0,0]=2 702 B17R2.3569 CCN(CCO)Cc1nc2cccnc2[nH]1 2230a_100000210973_100011549802 [0,0,1,0,0,0|3,0,0]=4 703 B17R2.3569 CCN(CCO)Cc1nc2ncccc2o1 2230a_100000210973_100000696355 [0,0,1,0,0,0|2,1,0]=4 704 B17R2.3956 Brc1ccccc1C=CCN2CCOCC2 270004a_100015191051_200016268969 [0,0,1,0,0,0|3,0,0]=4 705 B17R2.3956 Brc1ccccc1SCCN2CCOCC2 62a_100000695589_100000211760 [0,0,1,0,0,0|2,0,1]=4 706 B17R2.3956 Cc1ccccc1SCCN2CCOCC2 62a_100000210755_100000211760 [0,0,1,0,0,0|2,0,1]=4 707 B17R2.3956 Clc1ccccc1C=CCN2CCOCC2 270004a_100015191051_200102525841 [0,0,1,0,0,0|3,0,0]=4 708 B17R2.3956 Clc1ccccc1SCCN2CCOCC2 62a_100000764095_100000211760 [0,0,1,0,0,0|2,0,1]=4 709 B17R2.3956 Fc1ccccc1C=CCN2CCOCC2 270004a_100015191051_200102525844 [0,0,1,0,0,0|3,0,0]=4 710 B17R2.3956 Fc1ccccc1SCCN2CCOCC2 62a_100011215700_100000211760 [0,0,1,0,0,0|2,0,1]=4 711 B17R2.3956 Nc1ccccc1SCCN2CCOCC2 62a_100000210017_100000211760 [0,0,1,0,0,0|1,0,2]=4 712 B17R2.3956 Oc1ccccc1SCCN2CCOCC2 62a_100000739446_100000211760 [0,0,1,0,0,0|2,0,1]=4 713 B19R4.1377847 c1ccc2[nH]c(nc2c1)CN3CC4CC4C3 2230a_100000741873_100000737899 [0,0,0,1,0,0|3,0,0]=4 714 B19R4.1377847 c1ccc2[nH]c(nc2c1)CN3CC4CC4C3 269982a_100000741873_100000737899 [0,0,0,1,0,0|3,0,0]=4 715 B19R4.1377847 c1ccc2[nH]c(nc2c1)CN3CC4CC4C3 270004a_100000741873_100000185668 [0,0,0,1,0,0|3,0,0]=4 716 B19R4.1377847 c1ccc2oc(nc2c1)CN3CC4CC4C3 2230a_100000741873_100000195508 [0,0,0,1,0,0|2,1,0]=4 717 B19R4.1377847 c1ccc2oc(nc2c1)CN3CC4CC4C3 34a_100000741873_200012361514 [0,0,0,1,0,0|2,1,0]=4 718 B19R4.1377847 c1ccc2sc(cc2c1)CN3CC4CC4C3 270004a_100000741873_100000686906 [0,0,0,1,0,0|3,0,0]=4 719 B19R4.1377847 c1ccc2sc(nc2c1)CN3CC4CC4C3 2230a_100000741873_100000766747 [0,0,0,1,0,0|2,0,0]=3 720 B19R4.1377847 c1ccc2sc(nc2c1)CN3CC4CC4C3 269982a_100000741873_100011217541 [0,0,0,1,0,0|2,0,0]=3 721 B19R4.1377847 c1ccc2sc(nc2c1)CN3CC4CC4C3 270004a_100000741873_100011204187 [0,0,0,1,0,0|2,0,0]=3 722 B19R4.1377847 c1ccc2sc(nc2c1)CN3CC4CC4C3 34a_100000741873_100011217541 [0,0,0,1,0,0|2,0,0]=3 723 B19R4.3861590 c1ccc2[nH]c(nc2c1)NC3C4C3COC4 27a_100000702821_100009814255 [0,0,0,1,0,0|3,0,0]=4 724 B19R4.3861590 c1ccc2sc(nc2c1)NC3C4C3COC4 27a_100000702821_100000751744 [0,0,0,1,0,0|2,0,0]=3 725 B19R4.3861590 c1cnc2sc(nc2c1)NC3C4C3COC4 27a_100000702821_100010188088 [0,0,0,1,0,0|3,0,0]=4 726 B19R4.3861592 c1ccc2sc(nc2c1)N3C4CCC3CC4 27a_100000735658_100000751744 [0,0,0,1,0,0|3,0,0]=4 727 B17R3.1939 c1ccc2c(c1)CC2SC3CCOCC3 62a_100009813401_100011324220 [0,0,0,0,1,0|2,0,1]=4 728 B17R3.8685 C(=C1CCCC1)c2cc3ccccc3s2 271570a_100010378317_100009816949 [0,0,0,0,1,0|3,0,0]=4 729 B17R3.8685 C(=C1CCCC1)c2nc3ccccc3[nH]2 271570a_100010378317_100009814255 [0,0,0,0,1,0|3,0,0]=4 730 B17R3.8685 C(=C1CCCC1)c2nc3ccccc3s2 271570a_100010378317_100000751744 [0,0,0,0,1,0|2,0,0]=3 731 B17R3.8685 C(=C1CCCC1)c2nc3cccnc3s2 271570a_100010378317_100010188088 [0,0,0,0,1,0|3,0,0]=4 732 B17R3.8685 C1=CCN(C1)Cc2nc3ccccc3s2 269982a_100015195280_100011217541 [0,0,0,0,1,0|1,0,2]=4 733 B17R3.8685 c1cc2sc(cc2cn1)CN3CCCC3 270004a_100000188435_100000054438 [0,0,0,0,1,0|3,0,0]=4 734 B17R3.8685 c1ccc2[nH]c(cc2c1)CN3CCCC3 270004a_100000188435_100000051030 [0,0,0,0,1,0|2,0,1]=4 735 B17R3.8685 c1ccc2[nH]c(cc2c1)SC3CCCC3 62a_100011217020_100010232065 [0,0,0,0,1,0|2,0,1]=4 736 B17R3.8685 c1ccc2[nH]c(nc2c1)CN3CCCC3 2230a_100000188435_100000737899 [0,0,0,0,1,0|2,0,0]=3 737 B17R3.8685 c1ccc2[nH]c(nc2c1)CN3CCCC3 269982a_100000188435_100000737899 [0,0,0,0,1,0|2,0,0]=3 738 B17R3.8685 c1ccc2[nH]c(nc2c1)CN3CCCC3 270004a_100000188435_100000185668 [0,0,0,0,1,0|2,0,0]=3 739 B17R3.8685 c1ccc2[nH]c(nc2c1)CN3CCSC3 2230a_100011215254_100000737899 [0,0,0,0,1,0|2,1,0]=4 740 B17R3.8685 c1ccc2[nH]c(nc2c1)CN3CCSC3 269982a_100011215254_100000737899 [0,0,0,0,1,0|2,1,0]=4 741 B17R3.8685 c1ccc2[nH]c(nc2c1)CN3CCSC3 270004a_100011215254_100000185668 [0,0,0,0,1,0|2,1,0]=4 742 B17R3.8685 c1ccc2[nH]c(nc2c1)NC3CCCC3 27a_100000211070_100009814255 [0,0,0,0,1,0|3,0,0]=4 743 B17R3.8685 c1ccc2[nH]c(nc2c1)N[C@@H]3CCOC3 27a_200015188469_100009814255 [0,0,0,0,1,0|3,0,0]=4 744 B17R3.8685 c1ccc2[nH]c(nc2c1)N[C@H]3CCOC3 27a_100015188467_100009814255 [0,0,0,0,1,0|3,0,0]=4 745 B17R3.8685 c1ccc2[nH]c(nc2c1)SC3CCCC3 62a_100011217020_100009814255 [0,0,0,0,1,0|2,0,0]=3 746 B17R3.8685 c1ccc2oc(cc2c1)CN3CCCC3 270004a_100000188435_100000229944 [0,0,0,0,1,0|2,1,0]=4 747 B17R3.8685 c1ccc2oc(cc2c1)SC3CCCC3 62a_100011217020_100010159458 [0,0,0,0,1,0|2,1,0]=4 748 B17R3.8685 c1ccc2oc(nc2c1)CN3CCCC3 2230a_100000188435_100000195508 [0,0,0,0,1,0|1,1,0]=3 749 B17R3.8685 c1ccc2oc(nc2c1)CN3CCSC3 2230a_100011215254_100000195508 [0,0,0,0,1,0|1,2,0]=4 750 B17R3.8685 c1ccc2sc(cc2c1)CN3CCCC3 270004a_100000188435_100000686906 [0,0,0,0,1,0|2,0,0]=3 751 B17R3.8685 c1ccc2sc(cc2c1)CN3CCSC3 270004a_100011215254_100000686906 [0,0,0,0,1,0|2,1,0]=4 752 B17R3.8685 c1ccc2sc(cc2c1)SC3CCCC3 62a_100011217020_100009816949 [0,0,0,0,1,0|2,0,0]=3 753 B17R3.8685 c1ccc2sc(nc2c1)CN3CCCC3 2230a_100000188435_100000766747 [0,0,0,0,1,0|1,0,0]=2 754 B17R3.8685 c1ccc2sc(nc2c1)CN3CCCC3 269982a_100000188435_100011217541 [0,0,0,0,1,0|1,0,0]=2 755 B17R3.8685 c1ccc2sc(nc2c1)CN3CCCC3 270004a_100000188435_100011204187 [0,0,0,0,1,0|1,0,0]=2 756 B17R3.8685 c1ccc2sc(nc2c1)CN3CCSC3 2230a_100011215254_100000766747 [0,0,0,0,1,0|1,1,0]=3 757 B17R3.8685 c1ccc2sc(nc2c1)CN3CCSC3 269982a_100011215254_100011217541 [0,0,0,0,1,0|1,1,0]=3 758 B17R3.8685 c1ccc2sc(nc2c1)CN3CCSC3 270004a_100011215254_100011204187 [0,0,0,0,1,0|1,1,0]=3 759 B17R3.8685 c1ccc2sc(nc2c1)NC3CCCC3 27a_100000211070_100000751744 [0,0,0,0,1,0|2,0,0]=3 760 B17R3.8685 c1ccc2sc(nc2c1)N[C@@H]3CCOC3 27a_200015188469_100000751744 [0,0,0,0,1,0|2,0,0]=3 761 B17R3.8685 c1ccc2sc(nc2c1)N[C@H]3CCOC3 27a_100015188467_100000751744 [0,0,0,0,1,0|2,0,0]=3 762 B17R3.8685 c1ccc2sc(nc2c1)SC3CCCC3 62a_100011217020_100000751744 [0,0,0,0,1,0|1,0,0]=2 763 B17R3.8685 c1ccn2cc(nc2c1)CN3CCCC3 2230a_100000188435_100000689847 [0,0,0,0,1,0|3,0,0]=4 764 B17R3.8685 c1ccn2cc(nc2c1)CN3CCCC3 269982a_100000188435_100000689847 [0,0,0,0,1,0|3,0,0]=4 765 B17R3.8685 c1ccn2cc(nc2c1)SC3CCCC3 62a_100011217020_100009819586 [0,0,0,0,1,0|3,0,0]=4 766 B17R3.8685 c1cnc2[nH]c(nc2c1)CN3CCCC3 2230a_100000188435_100011549802 [0,0,0,0,1,0|3,0,0]=4 767 B17R3.8685 c1cnc2nc(oc2c1)CN3CCCC3 2230a_100000188435_100000696355 [0,0,0,0,1,0|2,1,0]=4 768 B17R3.8685 c1cnc2sc(cc2c1)CN3CCCC3 270004a_100000188435_100000050461 [0,0,0,0,1,0|3,0,0]=4 769 B17R3.8685 c1cnc2sc(nc2c1)NC3CCCC3 27a_100000211070_100010188088 [0,0,0,0,1,0|3,0,0]=4 770 B17R3.8685 c1cnc2sc(nc2c1)N[C@@H]3CCOC3 27a_200015188469_100010188088 [0,0,0,0,1,0|3,0,0]=4 771 B17R3.8685 c1cnc2sc(nc2c1)N[C@H]3CCOC3 27a_100015188467_100010188088 [0,0,0,0,1,0|3,0,0]=4 772 B17R3.8685 c1cnc2sc(nc2c1)SC3CCCC3 62a_100010188088_100000179811 [0,0,0,0,1,0|2,0,0]=3 773 B17R3.8685 c1cnc2sc(nc2c1)SC3CCCC3 62a_100011217020_100010188088 [0,0,0,0,1,0|2,0,0]=3 774 B17R3.8685 c1cnc2sc(nc2c1)SC3CCOC3 62a_100010188088_100000690089 [0,0,0,0,1,0|2,0,0]=3 775 B17R3.8708 C1=C(CCCC1)c2nc3ccccc3s2 271570a_100000062251_100000751744 [0,0,0,0,1,0|2,0,1]=4 776 B17R3.8708 C1=C(CCNC1)c2nc3ccccc3s2 271570a_100000731432_100000751744 [0,0,0,0,1,0|2,0,1]=4 777 B17R3.8708 C1=C(CCOC1)c2cc3ccccc3s2 271570a_100000070234_100009816949 [0,0,0,0,1,0|2,0,1]=4 778 B17R3.8708 C1=C(CCOC1)c2nc3ccccc3[nH]2 271570a_100000070234_100009814255 [0,0,0,0,1,0|2,0,1]=4 779 B17R3.8708 C1=C(CCOC1)c2nc3ccccc3s2 271570a_100000070234_100000751744 [0,0,0,0,1,0|1,0,1]=3 780 B17R3.8708 C1=C(CCOC1)c2nc3cccnc3s2 271570a_100000070234_100010188088 [0,0,0,0,1,0|2,0,1]=4 781 B17R3.8708 C1=C(CCSC1)c2nc3ccccc3s2 271570a_100010232141_100000751744 [0,0,0,0,1,0|1,1,1]=4 782 B17R3.8708 C1=CCN(CC1)c2nc3ccccc3[nH]2 27a_100000698166_100009814255 [0,0,0,0,1,0|2,0,1]=4 783 B17R3.8708 C1=CCN(CC1)c2nc3ccccc3s2 27a_100000698166_100000751744 [0,0,0,0,1,0|1,0,1]=3 784 B17R3.8708 C1=CCN(CC1)c2nc3cccnc3s2 27a_100000698166_100010188088 [0,0,0,0,1,0|2,0,1]=4 785 B17R3.8708 c1ccc2[nH]c(nc2c1)N3CCOCC3 27a_100015191051_100009814255 [0,0,0,0,1,0|1,0,0]=2 786 B17R3.8708 c1ccc2[nH]c(nc2c1)N3CCSCC3 27a_100000737611_100009814255 [0,0,0,0,1,0|1,1,0]=3 787 B17R3.8708 c1ccc2c(c1)CC(C2)N3CCOCC3 269982a_100015191051_100000753484 [0,0,0,0,1,0|2,0,1]=4 788 B17R3.8708 c1ccc2c(c1)CC(C2)N3CCOCC3 34a_100015191051_100000753484 [0,0,0,0,1,0|2,0,1]=4 789 B17R3.8708 c1ccc2sc(nc2c1)N3CCOCC3 27a_100015191051_100000751744 [0,0,0,0,1,0|0,0,0]=1 790 B17R3.8708 c1ccc2sc(nc2c1)N3CCSCC3 27a_100000737611_100000751744 [0,0,0,0,1,0|0,1,0]=2 791 B17R3.8708 c1cn2nc(nc2cn1)N3CCOCC3 27a_100015191051_100010748104 [0,0,0,0,1,0|3,0,0]=4 792 B17R3.8708 c1cnc2sc(nc2c1)N3CCOCC3 27a_100015191051_100010188088 [0,0,0,0,1,0|1,0,0]=2 793 B17R3.8708 c1cnc2sc(nc2c1)N3CCSCC3 27a_100000737611_100010188088 [0,0,0,0,1,0|1,1,0]=3 794 B17R3.8765 c1cc2sc(cc2s1)CN3CCOCC3 270004a_100015191051_100012178816 [0,0,0,0,1,0|3,0,0]=4 795 B19R3.19215 C1=C(COc2c1cccc2)CN3CCOCC3 270004a_100015191051_100000013085 [0,0,0,0,0,1|2,1,0]=4 796 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCOCC3 2230a_100015191051_100011216711 [0,0,0,0,0,1|3,0,0]=4 797 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCOCC3 269982a_100015191051_100011216711 [0,0,0,0,0,1|3,0,0]=4 798 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCOCC3 270004a_100015191051_100000211584 [0,0,0,0,0,1|3,0,0]=4 799 B19R3.19215 c1ccc2cc(ccc2c1)CN3CCOCC3 34a_100015191051_100011216711 [0,0,0,0,0,1|3,0,0]=4 800 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCOCC3 2230a_100015191051_100009869231 [0,0,0,0,0,1|2,0,0]=3 801 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCOCC3 269982a_100015191051_100009869231 [0,0,0,0,0,1|2,0,0]=3 802 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCOCC3 270004a_100015191051_100000059776 [0,0,0,0,0,1|2,0,0]=3 803 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCOCC3 34a_100015191051_100009869231 [0,0,0,0,0,1|2,0,0]=3 804 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCSCC3 2230a_100000737611_100009869231 [0,0,0,0,0,1|2,1,0]=4 805 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCSCC3 269982a_100000737611_100009869231 [0,0,0,0,0,1|2,1,0]=4 806 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCSCC3 270004a_100000737611_100000059776 [0,0,0,0,0,1|2,1,0]=4 807 B19R3.19215 c1ccc2cc(ncc2c1)SC3CCCCC3 62a_100000210327_100000047361 [0,0,0,0,0,1|3,0,0]=4 808 B19R3.19215 c1ccc2cc(ncc2c1)SC3CCCCC3 62a_100009816522_100000210327 [0,0,0,0,0,1|3,0,0]=4 809 B19R3.19215 c1ccc2cc(ncc2c1)SC3CCOCC3 62a_100009816522_100011324220 [0,0,0,0,0,1|2,0,0]=3 810 B19R3.19215 c1ccc2cc(ncc2c1)SC3CCSCC3 62a_100009816522_100000069128 [0,0,0,0,0,1|2,1,0]=4 811 B19R3.19215 c1ccc2nc(ccc2c1)CN3CCOCC3 2230a_100015191051_100000737579 [0,0,0,0,0,1|2,0,0]=3 812 B19R3.19215 c1ccc2nc(ccc2c1)CN3CCOCC3 270004a_100015191051_100000759686 [0,0,0,0,0,1|2,0,0]=3 813 B19R3.19215 c1ccc2nc(ccc2c1)CN3CCOCC3 34a_100015191051_100000737579 [0,0,0,0,0,1|2,0,0]=3 814 B19R3.19215 c1ccc2nc(ccc2c1)CN3CCSCC3 2230a_100000737611_100000737579 [0,0,0,0,0,1|2,1,0]=4 815 B19R3.19215 c1ccc2nc(ccc2c1)CN3CCSCC3 270004a_100000737611_100000759686 [0,0,0,0,0,1|2,1,0]=4 816 B19R3.19215 c1ccc2nc(ccc2c1)NC3CCOCC3 27a_100000741149_100011291633 [0,0,0,0,0,1|3,0,0]=4 817 B19R3.19215 c1ccc2nc(ccc2c1)SC3CCCCC3 62a_100000210327_100011291633 [0,0,0,0,0,1|3,0,0]=4 818 B19R3.19215 c1ccc2nc(ccc2c1)SC3CCCCC3 62a_100011291633_100000210327 [0,0,0,0,0,1|3,0,0]=4 819 B19R3.19215 c1ccc2nc(ccc2c1)SC3CCOCC3 62a_100011291633_100011324220 [0,0,0,0,0,1|2,0,0]=3 820 B19R3.19215 c1ccc2nc(ccc2c1)SC3CCSCC3 62a_100011291633_100000069128 [0,0,0,0,0,1|2,1,0]=4 821 B19R3.19215 c1ccc2nc(cnc2c1)CN3CCOCC3 270004a_100015191051_100000204677 [0,0,0,0,0,1|2,0,0]=3 822 B19R3.19215 c1ccc2nc(cnc2c1)CN3CCSCC3 270004a_100000737611_100000204677 [0,0,0,0,0,1|2,1,0]=4 823 B19R3.19215 c1ccc2nc(cnc2c1)NC3CCOCC3 27a_100000741149_100000756483 [0,0,0,0,0,1|3,0,0]=4 824 B19R3.19215 c1ccc2nc(cnc2c1)SC3CCCCC3 62a_100000210327_100000756483 [0,0,0,0,0,1|3,0,0]=4 825 B19R3.19215 c1ccc2nc(cnc2c1)SC3CCCCC3 62a_100000756483_100000210327 [0,0,0,0,0,1|3,0,0]=4 826 B19R3.19215 c1ccc2nc(cnc2c1)SC3CCOCC3 62a_100000756483_100011324220 [0,0,0,0,0,1|2,0,0]=3 827 B19R3.19215 c1ccc2nc(cnc2c1)SC3CCSCC3 62a_100000756483_100000069128 [0,0,0,0,0,1|2,1,0]=4 828 B19R3.19215 c1ccc2nc(ncc2c1)CN3CCOCC3 34a_100015191051_100009868571 [0,0,0,0,0,1|2,0,0]=3 829 B19R3.19215 c1ccc2nc(ncc2c1)NC3CCOCC3 27a_100000741149_100000097389 [0,0,0,0,0,1|3,0,0]=4 830 B19R3.19215 c1ccc2nc(ncc2c1)SC3CCCCC3 62a_100000210327_100000097389 [0,0,0,0,0,1|3,0,0]=4 831 B19R3.19215 c1ccc2ncc(cc2c1)CN3CCOCC3 270004a_100015191051_100000750898 [0,0,0,0,0,1|2,0,0]=3 832 B19R3.19215 c1ccc2ncc(cc2c1)CN3CCSCC3 270004a_100000737611_100000750898 [0,0,0,0,0,1|2,1,0]=4 833 B19R3.19215 c1ccc2ncc(cc2c1)OC3CCOCC3 7a_100011934006_100000686592 [0,0,0,0,0,1|2,1,0]=4 834 B19R3.19215 c1ccc2ncc(cc2c1)SC3CCCCC3 62a_100000210327_100000737414 [0,0,0,0,0,1|3,0,0]=4 835 B19R3.19215 c1cnc2cc(cnc2c1)SC3CCOCC3 62a_100010246316_100011324220 [0,0,0,0,0,1|3,0,0]=4 836 B19R3.19215 c1cnc2nc(ccc2c1)SC3CCOCC3 62a_100000075685_100011324220 [0,0,0,0,0,1|3,0,0]=4 837 B19R3.19215 c1cnc2nc(cnc2c1)SC3CCOCC3 62a_200010275043_100011324220 [0,0,0,0,0,1|3,0,0]=4 838 B19R3.19215 c1cnc2nc(ncc2c1)SC3CCOCC3 62a_100009875485_100011324220 [0,0,0,0,0,1|3,0,0]=4 839 B19R3.19215 c1cnc2ncc(nc2c1)SC3CCOCC3 62a_100000084304_100011324220 [0,0,0,0,0,1|3,0,0]=4 840 B19R3.19255 C(=CC1CCCCC1)c2nc3ccccc3s2 271570a_100016283615_100000751744 [0,0,0,0,0,1|3,0,0]=4 841 B19R3.19255 c1ccc2[nH]c(cc2c1)SCC3CCOCC3 62a_100000754603_100010232065 [0,0,0,0,0,1|2,0,1]=4 842 B19R3.19255 c1ccc2[nH]c(nc2c1)CCN3CCOCC3 269982a_100015191051_100015206048 [0,0,0,0,0,1|2,0,0]=3 843 B19R3.19255 c1ccc2[nH]c(nc2c1)CCN3CCSCC3 269982a_100000737611_100015206048 [0,0,0,0,0,1|2,1,0]=4 844 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCOCC3 207a_100000741149_100000185668 [0,0,0,0,0,1|3,0,0]=4 845 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCOCC3 2230a_100000741149_100000737899 [0,0,0,0,0,1|3,0,0]=4 846 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCOCC3 270004a_100000729406_100011217826 [0,0,0,0,0,1|3,0,0]=4 847 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCOCC3 270004a_100000741149_100000185668 [0,0,0,0,0,1|3,0,0]=4 848 B19R3.19255 c1ccc2[nH]c(nc2c1)CSC3CCCCC3 62a_100000210327_100000737899 [0,0,0,0,0,1|3,0,0]=4 849 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCOCC3 27a_100000746373_100009814255 [0,0,0,0,0,1|3,0,0]=4 850 B19R3.19255 c1ccc2[nH]c(nc2c1)NN=C3CCOCC3 4a_100000188875_100011217826 [0,0,0,0,0,1|3,0,0]=4 851 B19R3.19255 c1ccc2[nH]c(nc2c1)SCC3CCCCC3 62a_100000211423_100009814255 [0,0,0,0,0,1|3,0,0]=4 852 B19R3.19255 c1ccc2[nH]c(nc2c1)SCC3CCOCC3 62a_100000754603_100009814255 [0,0,0,0,0,1|2,0,0]=3 853 B19R3.19255 c1ccc2oc(cc2c1)SCC3CCOCC3 62a_100000754603_100010159458 [0,0,0,0,0,1|2,1,0]=4 854 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCOCC3 2230a_100000741149_100000195508 [0,0,0,0,0,1|2,1,0]=4 855 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCOCC3 270004a_100000733820_100011217826 [0,0,0,0,0,1|2,1,0]=4 856 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCOCC3 34a_100000741149_200012361514 [0,0,0,0,0,1|2,1,0]=4 857 B19R3.19255 c1ccc2oc(nc2c1)COC3CCOCC3 34a_100000744328_200012361514 [0,0,0,0,0,1|1,2,0]=4 858 B19R3.19255 c1ccc2oc(nc2c1)CSC3CCCCC3 62a_100000210327_100000195508 [0,0,0,0,0,1|2,1,0]=4 859 B19R3.19255 c1ccc2oc(nc2c1)NN=C3CCOCC3 4a_100000182307_100011217826 [0,0,0,0,0,1|2,1,0]=4 860 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCOCC3 207a_100000741149_100000686906 [0,0,0,0,0,1|3,0,0]=4 861 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCOCC3 270004a_100000741149_100000686906 [0,0,0,0,0,1|3,0,0]=4 862 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCOCC3 270004a_100015187092_100011217826 [0,0,0,0,0,1|3,0,0]=4 863 B19R3.19255 c1ccc2sc(cc2c1)SCC3CCCCC3 62a_100000211423_100009816949 [0,0,0,0,0,1|3,0,0]=4 864 B19R3.19255 c1ccc2sc(cc2c1)SCC3CCOCC3 62a_100000754603_100009816949 [0,0,0,0,0,1|2,0,0]=3 865 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCCC3 2230a_100000182618_100000766747 [0,0,0,0,0,1|3,0,0]=4 866 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCCC3 270004a_100000182618_100011204187 [0,0,0,0,0,1|3,0,0]=4 867 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCCC3 34a_100000182618_100011217541 [0,0,0,0,0,1|3,0,0]=4 868 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCOCC3 2230a_100000741149_100000766747 [0,0,0,0,0,1|2,0,0]=3 869 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCOCC3 270004a_100000741149_100011204187 [0,0,0,0,0,1|2,0,0]=3 870 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCOCC3 34a_100000741149_100011217541 [0,0,0,0,0,1|2,0,0]=3 871 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCSCC3 2230a_100000748639_100000766747 [0,0,0,0,0,1|2,1,0]=4 872 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCSCC3 270004a_100000748639_100011204187 [0,0,0,0,0,1|2,1,0]=4 873 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCSCC3 34a_100000748639_100011217541 [0,0,0,0,0,1|2,1,0]=4 874 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCCC3 34a_100000210231_100011217541 [0,0,0,0,0,1|2,1,0]=4 875 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCCC3 7a_100000210231_100011217541 [0,0,0,0,0,1|2,1,0]=4 876 B19R3.19255 c1ccc2sc(nc2c1)COC3CCOCC3 34a_100000744328_100011217541 [0,0,0,0,0,1|1,1,0]=3 877 B19R3.19255 c1ccc2sc(nc2c1)COC3CCSCC3 34a_100000731022_100011217541 [0,0,0,0,0,1|1,2,0]=4 878 B19R3.19255 c1ccc2sc(nc2c1)COC3CCSCC3 7a_100000731022_100011217541 [0,0,0,0,0,1|1,2,0]=4 879 B19R3.19255 c1ccc2sc(nc2c1)CSC3CCCCC3 62a_100000210327_100000766747 [0,0,0,0,0,1|2,0,0]=3 880 B19R3.19255 c1ccc2sc(nc2c1)CSC3CCCCC3 62a_100011217541_100000210327 [0,0,0,0,0,1|2,0,0]=3 881 B19R3.19255 c1ccc2sc(nc2c1)CSC3CCCOC3 62a_100011217541_100000693364 [0,0,0,0,0,1|3,0,0]=4 882 B19R3.19255 c1ccc2sc(nc2c1)CSC3CCOCC3 62a_100011217541_100011324220 [0,0,0,0,0,1|1,0,0]=2 883 B19R3.19255 c1ccc2sc(nc2c1)CSC3CCSCC3 62a_100011217541_100000069128 [0,0,0,0,0,1|1,1,0]=3 884 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCCCC3 27a_100000210473_100000751744 [0,0,0,0,0,1|3,0,0]=4 885 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCOCC3 27a_100000746373_100000751744 [0,0,0,0,0,1|2,0,0]=3 886 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCSCC3 27a_100015188806_100000751744 [0,0,0,0,0,1|2,1,0]=4 887 B19R3.19255 c1ccc2sc(nc2c1)NN=C3CCCCC3 4a_100000181811_100000210434 [0,0,0,0,0,1|3,0,0]=4 888 B19R3.19255 c1ccc2sc(nc2c1)NN=C3CCOCC3 4a_100000181811_100011217826 [0,0,0,0,0,1|2,0,0]=3 889 B19R3.19255 c1ccc2sc(nc2c1)NN=C3CCSCC3 4a_100000181811_100000203788 [0,0,0,0,0,1|2,1,0]=4 890 B19R3.19255 c1ccc2sc(nc2c1)SCC3CCCCC3 62a_100000211423_100000751744 [0,0,0,0,0,1|2,0,0]=3 891 B19R3.19255 c1ccc2sc(nc2c1)SCC3CCCCO3 62a_100000211543_100000751744 [0,0,0,0,0,1|3,0,0]=4 892 B19R3.19255 c1ccc2sc(nc2c1)SCC3CCCOC3 62a_100000741521_100000751744 [0,0,0,0,0,1|3,0,0]=4 893 B19R3.19255 c1ccc2sc(nc2c1)SCC3CCOCC3 62a_100000754603_100000751744 [0,0,0,0,0,1|1,0,0]=2 894 B19R3.19255 c1ccn2cc(nc2c1)CSC3CCOCC3 62a_100000689847_100011324220 [0,0,0,0,0,1|3,0,0]=4 895 B19R3.19255 c1ccn2cc(nc2c1)SCC3CCOCC3 62a_100000754603_100009819586 [0,0,0,0,0,1|3,0,0]=4 896 B19R3.19255 c1cnc2[nH]c(nc2c1)CSC3CCOCC3 62a_100011549802_100011324220 [0,0,0,0,0,1|3,0,0]=4 897 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCOCC3 27a_100000746373_100010188088 [0,0,0,0,0,1|3,0,0]=4 898 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCCCC3 62a_100000211423_100010188088 [0,0,0,0,0,1|3,0,0]=4 899 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCCCC3 62a_100010188088_100000211423 [0,0,0,0,0,1|3,0,0]=4 900 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCOCC3 62a_100000754603_100010188088 [0,0,0,0,0,1|2,0,0]=3 901 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCOCC3 62a_100010188088_100000749018 [0,0,0,0,0,1|2,0,0]=3 902 B19R3.1671973 c1cc2sc(cc2cn1)CN3CCCOCC3 270004a_100000685342_100000054438 [0,0,0,0,0,1|3,0,0]=4 903 B19R3.1671973 c1ccc2[nH]c(cc2c1)CN3CCCOCC3 270004a_100000685342_100000051030 [0,0,0,0,0,1|2,0,1]=4 904 B19R3.1671973 c1ccc2[nH]c(nc2c1)CN3CCCCCC3 2230a_100000185865_100000737899 [0,0,0,0,0,1|3,0,0]=4 905 B19R3.1671973 c1ccc2[nH]c(nc2c1)CN3CCCCCC3 269982a_100000185865_100000737899 [0,0,0,0,0,1|3,0,0]=4 906 B19R3.1671973 c1ccc2[nH]c(nc2c1)CN3CCCCCC3 270004a_100000185865_100000185668 [0,0,0,0,0,1|3,0,0]=4 907 B19R3.1671973 c1ccc2[nH]c(nc2c1)CN3CCCOCC3 2230a_100000685342_100000737899 [0,0,0,0,0,1|2,0,0]=3 908 B19R3.1671973 c1ccc2[nH]c(nc2c1)CN3CCCOCC3 269982a_100000685342_100000737899 [0,0,0,0,0,1|2,0,0]=3 909 B19R3.1671973 c1ccc2[nH]c(nc2c1)CN3CCCOCC3 270004a_100000685342_100000185668 [0,0,0,0,0,1|2,0,0]=3 910 B19R3.1671973 c1ccc2[nH]c(nc2c1)SC3CCCCCC3 62a_100011217769_100009814255 [0,0,0,0,0,1|3,0,0]=4 911 B19R3.1671973 c1ccc2oc(cc2c1)CN3CCCOCC3 270004a_100000685342_100000229944 [0,0,0,0,0,1|2,1,0]=4 912 B19R3.1671973 c1ccc2oc(nc2c1)CN3CCCCCC3 2230a_100000185865_100000195508 [0,0,0,0,0,1|2,1,0]=4 913 B19R3.1671973 c1ccc2oc(nc2c1)CN3CCCCCC3 34a_100000185865_200012361514 [0,0,0,0,0,1|2,1,0]=4 914 B19R3.1671973 c1ccc2oc(nc2c1)CN3CCCOCC3 2230a_100000685342_100000195508 [0,0,0,0,0,1|1,1,0]=3 915 B19R3.1671973 c1ccc2oc(nc2c1)CN3CCCOCC3 34a_100000685342_200012361514 [0,0,0,0,0,1|1,1,0]=3 916 B19R3.1671973 c1ccc2sc(cc2c1)CN3CCCCCC3 270004a_100000185865_100000686906 [0,0,0,0,0,1|3,0,0]=4 917 B19R3.1671973 c1ccc2sc(cc2c1)CN3CCCOCC3 270004a_100000685342_100000686906 [0,0,0,0,0,1|2,0,0]=3 918 B19R3.1671973 c1ccc2sc(cc2c1)SC3CCCCCC3 62a_100011217769_100009816949 [0,0,0,0,0,1|3,0,0]=4 919 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCCCC3 2230a_100000185865_100000766747 [0,0,0,0,0,1|2,0,0]=3 920 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCCCC3 269982a_100000185865_100011217541 [0,0,0,0,0,1|2,0,0]=3 921 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCCCC3 270004a_100000185865_100011204187 [0,0,0,0,0,1|2,0,0]=3 922 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCCCC3 34a_100000185865_100011217541 [0,0,0,0,0,1|2,0,0]=3 923 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCOCC3 2230a_100000685342_100000766747 [0,0,0,0,0,1|1,0,0]=2 924 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCOCC3 269982a_100000685342_100011217541 [0,0,0,0,0,1|1,0,0]=2 925 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCOCC3 270004a_100000685342_100011204187 [0,0,0,0,0,1|1,0,0]=2 926 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCOCC3 34a_100000685342_100011217541 [0,0,0,0,0,1|1,0,0]=2 927 B19R3.1671973 c1ccc2sc(nc2c1)NC3CCCCCC3 27a_100000210984_100000751744 [0,0,0,0,0,1|3,0,0]=4 928 B19R3.1671973 c1ccc2sc(nc2c1)SC3CCCCCC3 62a_100011217769_100000751744 [0,0,0,0,0,1|2,0,0]=3 929 B19R3.1671973 c1ccn2cc(nc2c1)CN3CCCOCC3 2230a_100000685342_100000689847 [0,0,0,0,0,1|3,0,0]=4 930 B19R3.1671973 c1ccn2cc(nc2c1)CN3CCCOCC3 269982a_100000685342_100000689847 [0,0,0,0,0,1|3,0,0]=4 931 B19R3.1671973 c1ccn2cc(nc2c1)CN3CCCOCC3 34a_100000685342_100000689847 [0,0,0,0,0,1|3,0,0]=4 932 B19R3.1671973 c1cnc2[nH]c(nc2c1)CN3CCCOCC3 2230a_100000685342_100011549802 [0,0,0,0,0,1|3,0,0]=4 933 B19R3.1671973 c1cnc2nc(oc2c1)CN3CCCOCC3 2230a_100000685342_100000696355 [0,0,0,0,0,1|2,1,0]=4 934 B19R3.1671973 c1cnc2sc(cc2c1)CN3CCCOCC3 270004a_100000685342_100000050461 [0,0,0,0,0,1|3,0,0]=4 935 B19R3.1671973 c1cnc2sc(nc2c1)SC3CCCCCC3 62a_100010188088_100011217769 [0,0,0,0,0,1|3,0,0]=4 936 B19R3.1671973 c1cnc2sc(nc2c1)SC3CCCCCC3 62a_100011217769_100010188088 [0,0,0,0,0,1|3,0,0]=4 937 B16R2.2256 C(=C/c1ccccc1)\CN2CCOCC2 2230a_100015191051_100016265936 [1,0,1,0,0,0|2,0,0]=4 938 B16R2.2256 C(=C/c1ccccc1)\CN2CCOCC2 269982a_100015191051_100016265936 [1,0,1,0,0,0|2,0,0]=4 939 B16R2.2256 C(=C/c1ccccc1)\CN2CCOCC2 34a_100015191051_100016265936 [1,0,1,0,0,0|2,0,0]=4 940 B16R2.2256 C(=Cc1ccccc1)CN2CCOCC2 270004a_100015191051_100000210105 [1,0,1,0,0,0|2,0,0]=4 941 B16R2.2256 c1ccc(cc1)SCCN2CCOCC2 2230a_100015191051_100000246102 [1,0,1,0,0,0|1,0,1]=4 942 B16R2.2256 c1ccc(cc1)SCCN2CCOCC2 269982a_100015191051_100000246102 [1,0,1,0,0,0|1,0,1]=4 943 B16R2.2256 c1ccc(cc1)SCCN2CCOCC2 34a_100015191051_100000246102 [1,0,1,0,0,0|1,0,1]=4 944 B16R2.2256 c1ccc(cc1)SCCN2CCOCC2 62a_100000719477_100000211760 [1,0,1,0,0,0|1,0,1]=4 945 B16R2.2256 c1ccc(cc1)SCSC2CCOCC2 62a_100011218342_100011324220 [1,0,1,0,0,0|1,0,1]=4 946 B16R2.734 CC(CCO)Sc1cc2ccccc2s1 62a_100009893172_100009816949 [1,0,1,0,0,0|2,0,0]=4 947 B16R2.734 CC(CCO)Sc1nc2ccccc2[nH]1 62a_100009893172_100009814255 [1,0,1,0,0,0|2,0,0]=4 948 B16R2.734 CC(CCO)Sc1nc2ccccc2s1 62a_100009893172_100000751744 [1,0,1,0,0,0|1,0,0]=3 949 B16R2.734 CC(CCO)Sc1nc2cccnc2s1 62a_100009893172_100010188088 [1,0,1,0,0,0|2,0,0]=4 950 B16R2.734 CC(CCO)Sc1nc2cccnc2s1 62a_100010188088_100009893172 [1,0,1,0,0,0|2,0,0]=4 951 B16R2.734 CCCC(C)Nc1nc2ccccc2s1 27a_100000741246_100000751744 [1,0,1,0,0,0|2,0,0]=4 952 B16R2.734 CCCC(C)Sc1cc2ccccc2s1 62a_100000766640_100009816949 [1,0,1,0,0,0|2,0,0]=4 953 B16R2.734 CCCC(C)Sc1nc2ccccc2[nH]1 62a_100000766640_100009814255 [1,0,1,0,0,0|2,0,0]=4 954 B16R2.734 CCCC(C)Sc1nc2ccccc2s1 62a_100000766640_100000751744 [1,0,1,0,0,0|1,0,0]=3 955 B16R2.734 CCCC(C)Sc1nc2cccnc2s1 62a_100000766640_100010188088 [1,0,1,0,0,0|2,0,0]=4 956 B16R2.734 CCCC(C)Sc1nc2cccnc2s1 62a_100010188088_100000766640 [1,0,1,0,0,0|2,0,0]=4 957 B16R2.734 CCCN(C)Cc1cc2ccccc2s1 2230a_100015183267_100000210303 [1,0,1,0,0,0|2,0,0]=4 958 B16R2.734 CCCN(C)Cc1cc2ccccc2s1 269982a_100015183267_100000210303 [1,0,1,0,0,0|2,0,0]=4 959 B16R2.734 CCCN(C)Cc1cc2ccccc2s1 270004a_100000747261_100000686906 [1,0,1,0,0,0|2,0,0]=4 960 B16R2.734 CCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_100000210303 [1,0,1,0,0,0|2,0,0]=4 961 B16R2.734 CCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000747261_100000737899 [1,0,1,0,0,0|2,0,0]=4 962 B16R2.734 CCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_100000210303 [1,0,1,0,0,0|2,0,0]=4 963 B16R2.734 CCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000747261_100000737899 [1,0,1,0,0,0|2,0,0]=4 964 B16R2.734 CCCN(C)Cc1nc2ccccc2[nH]1 270004a_100000747261_100000185668 [1,0,1,0,0,0|2,0,0]=4 965 B16R2.734 CCCN(C)Cc1nc2ccccc2o1 2230a_100000747261_100000195508 [1,0,1,0,0,0|1,1,0]=4 966 B16R2.734 CCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000210303 [1,0,1,0,0,0|1,0,0]=3 967 B16R2.734 CCCN(C)Cc1nc2ccccc2s1 2230a_100000747261_100000766747 [1,0,1,0,0,0|1,0,0]=3 968 B16R2.734 CCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000210303 [1,0,1,0,0,0|1,0,0]=3 969 B16R2.734 CCCN(C)Cc1nc2ccccc2s1 269982a_100000747261_100011217541 [1,0,1,0,0,0|1,0,0]=3 970 B16R2.734 CCCN(C)Cc1nc2ccccc2s1 270004a_100000747261_100011204187 [1,0,1,0,0,0|1,0,0]=3 971 B16R2.734 CN(CCF)Cc1nc2ccccc2s1 2230a_100000204650_100011217306 [1,0,1,0,0,0|2,0,0]=4 972 B16R2.734 CN(CCF)Cc1nc2ccccc2s1 269982a_100000204650_100011217306 [1,0,1,0,0,0|2,0,0]=4 973 B16R2.734 CN(CCO)Cc1cc2ccccc2s1 2230a_100015183267_100000211926 [1,0,1,0,0,0|2,0,0]=4 974 B16R2.734 CN(CCO)Cc1cc2ccccc2s1 269982a_100015183267_100000211926 [1,0,1,0,0,0|2,0,0]=4 975 B16R2.734 CN(CCO)Cc1cc2ccccc2s1 270004a_100000210263_100000686906 [1,0,1,0,0,0|2,0,0]=4 976 B16R2.734 CN(CCO)Cc1nc2ccccc2[nH]1 2230a_100000210263_100000737899 [1,0,1,0,0,0|2,0,0]=4 977 B16R2.734 CN(CCO)Cc1nc2ccccc2[nH]1 2230a_100000736437_100000211926 [1,0,1,0,0,0|2,0,0]=4 978 B16R2.734 CN(CCO)Cc1nc2ccccc2[nH]1 269982a_100000210263_100000737899 [1,0,1,0,0,0|2,0,0]=4 979 B16R2.734 CN(CCO)Cc1nc2ccccc2[nH]1 269982a_100000736437_100000211926 [1,0,1,0,0,0|2,0,0]=4 980 B16R2.734 CN(CCO)Cc1nc2ccccc2[nH]1 270004a_100000210263_100000185668 [1,0,1,0,0,0|2,0,0]=4 981 B16R2.734 CN(CCO)Cc1nc2ccccc2o1 2230a_100000210263_100000195508 [1,0,1,0,0,0|1,1,0]=4 982 B16R2.734 CN(CCO)Cc1nc2ccccc2s1 2230a_100000204650_100000211926 [1,0,1,0,0,0|1,0,0]=3 983 B16R2.734 CN(CCO)Cc1nc2ccccc2s1 2230a_100000210263_100000766747 [1,0,1,0,0,0|1,0,0]=3 984 B16R2.734 CN(CCO)Cc1nc2ccccc2s1 269982a_100000204650_100000211926 [1,0,1,0,0,0|1,0,0]=3 985 B16R2.734 CN(CCO)Cc1nc2ccccc2s1 269982a_100000210263_100011217541 [1,0,1,0,0,0|1,0,0]=3 986 B16R2.734 CN(CCO)Cc1nc2ccccc2s1 270004a_100000210263_100011204187 [1,0,1,0,0,0|1,0,0]=3 987 B16R2.734 COCC(C)Sc1cc2ccccc2s1 62a_100000765312_100009816949 [1,0,1,0,0,0|2,0,0]=4 988 B16R2.734 COCC(C)Sc1nc2ccccc2[nH]1 62a_100000765312_100009814255 [1,0,1,0,0,0|2,0,0]=4 989 B16R2.734 COCC(C)Sc1nc2ccccc2s1 62a_100000765312_100000751744 [1,0,1,0,0,0|1,0,0]=3 990 B16R2.734 COCC(C)Sc1nc2cccnc2s1 62a_100000765312_100010188088 [1,0,1,0,0,0|2,0,0]=4 991 B16R2.734 COCC(C)Sc1nc2cccnc2s1 62a_100010188088_100000765312 [1,0,1,0,0,0|2,0,0]=4 992 B16R2.734 COCN(C)Cc1cc2ccccc2s1 2230a_100015183267_100000766300 [1,0,1,0,0,0|2,0,0]=4 993 B16R2.734 COCN(C)Cc1cc2ccccc2s1 269982a_100015183267_100000766300 [1,0,1,0,0,0|2,0,0]=4 994 B16R2.734 COCN(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_100000766300 [1,0,1,0,0,0|2,0,0]=4 995 B16R2.734 COCN(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_100000766300 [1,0,1,0,0,0|2,0,0]=4 996 B16R2.734 COCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000766300 [1,0,1,0,0,0|1,0,0]=3 997 B16R2.734 COCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000766300 [1,0,1,0,0,0|1,0,0]=3 998 B16R2.734 COC[C@@H](C)Nc1nc2ccccc2s1 27a_100000764878_100000751744 [1,0,1,0,0,0|2,0,0]=4 999 B16R2.734 CSCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100011218213 [1,0,1,0,0,0|1,1,0]=4 1000 B16R2.734 CSCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100011218213 [1,0,1,0,0,0|1,1,0]=4 1001 B16R2.734 C[C@H](CCO)Nc1nc2ccccc2s1 27a_100000706166_100000751744 [1,0,1,0,0,0|2,0,0]=4 1002 B16R2.2875 C=COCCSc1nc2ccccc2s1 62a_100000039644_100000751744 [1,0,1,0,0,0|0,0,2]=4 1003 B16R2.2875 CC/C=C\CSc1nc2ccccc2s1 62a_100103147603_100000751744 [1,0,1,0,0,0|1,0,1]=4 1004 B16R2.2875 CCC#CCSc1nc2ccccc2s1 62a_100009813939_100000751744 [1,0,1,0,0,0|1,0,1]=4 1005 B16R2.2875 CCCCC=Cc1nc2ccccc2s1 271570a_100016275911_100000751744 [1,0,1,0,0,0|2,0,0]=4 1006 B16R2.2875 CCCCCNc1nc2ccccc2[nH]1 27a_100000209983_100009814255 [1,0,1,0,0,0|2,0,0]=4 1007 B16R2.2875 CCCCCNc1nc2ccccc2s1 27a_100000209983_100000751744 [1,0,1,0,0,0|1,0,0]=3 1008 B16R2.2875 CCCCCNc1nc2cccnc2s1 27a_100000209983_100010188088 [1,0,1,0,0,0|2,0,0]=4 1009 B16R2.2875 CCCCCSc1cc2ccccc2s1 62a_100000210326_100009816949 [1,0,1,0,0,0|2,0,0]=4 1010 B16R2.2875 CCCCCSc1nc2ccccc2[nH]1 62a_100000210326_100009814255 [1,0,1,0,0,0|2,0,0]=4 1011 B16R2.2875 CCCCCSc1nc2ccccc2s1 62a_100000210326_100000751744 [1,0,1,0,0,0|1,0,0]=3 1012 B16R2.2875 CCCCCSc1nc2cccnc2s1 62a_100000210326_100010188088 [1,0,1,0,0,0|2,0,0]=4 1013 B16R2.2875 CCCCCSc1nc2cccnc2s1 62a_100010188088_100000210326 [1,0,1,0,0,0|2,0,0]=4 1014 B16R2.2875 CCCCNCc1cc2ccccc2s1 207a_100000102301_100000686906 [1,0,1,0,0,0|2,0,0]=4 1015 B16R2.2875 CCCCNCc1cc2ccccc2s1 2230a_100015187092_100000210211 [1,0,1,0,0,0|2,0,0]=4 1016 B16R2.2875 CCCCNCc1cc2ccccc2s1 270004a_100000102301_100000686906 [1,0,1,0,0,0|2,0,0]=4 1017 B16R2.2875 CCCCNCc1nc2ccccc2[nH]1 207a_100000102301_100000185668 [1,0,1,0,0,0|2,0,0]=4 1018 B16R2.2875 CCCCNCc1nc2ccccc2[nH]1 2230a_100000102301_100000737899 [1,0,1,0,0,0|2,0,0]=4 1019 B16R2.2875 CCCCNCc1nc2ccccc2[nH]1 270004a_100000102301_100000185668 [1,0,1,0,0,0|2,0,0]=4 1020 B16R2.2875 CCCCNCc1nc2ccccc2[nH]1 7a_106832991798_100000737899 [1,0,1,0,0,0|2,0,0]=4 1021 B16R2.2875 CCCCNCc1nc2ccccc2o1 2230a_100000102301_100000195508 [1,0,1,0,0,0|1,1,0]=4 1022 B16R2.2875 CCCCNCc1nc2ccccc2o1 7a_106832991798_100000195508 [1,0,1,0,0,0|1,1,0]=4 1023 B16R2.2875 CCCCNCc1nc2ccccc2s1 2230a_100000102301_100000766747 [1,0,1,0,0,0|1,0,0]=3 1024 B16R2.2875 CCCCNCc1nc2ccccc2s1 270004a_100000102301_100011204187 [1,0,1,0,0,0|1,0,0]=3 1025 B16R2.2875 CCCCNCc1nc2ccccc2s1 7a_106832991798_100011217541 [1,0,1,0,0,0|1,0,0]=3 1026 B16R2.2875 CCCCOCc1nc2ccccc2s1 34a_100000210227_100011217541 [1,0,1,0,0,0|2,0,0]=4 1027 B16R2.2875 CCCCOCc1nc2ccccc2s1 7a_100000210227_100011217541 [1,0,1,0,0,0|2,0,0]=4 1028 B16R2.2875 CCCCSCc1nc2ccccc2s1 62a_100000210211_100000766747 [1,0,1,0,0,0|2,0,0]=4 1029 B16R2.2875 CCCCSCc1nc2ccccc2s1 62a_100011217541_100000210210 [1,0,1,0,0,0|2,0,0]=4 1030 B16R2.2875 CCOCCNc1nc2ccccc2[nH]1 27a_100011200944_100009814255 [1,0,1,0,0,0|1,0,0]=3 1031 B16R2.2875 CCOCCNc1nc2ccccc2s1 27a_100011200944_100000751744 [1,0,1,0,0,0|0,0,0]=2 1032 B16R2.2875 CCOCCNc1nc2cccnc2s1 27a_100011200944_100010188088 [1,0,1,0,0,0|1,0,0]=3 1033 B16R2.2875 CCOCCSc1cc2ccccc2[nH]1 62a_100000210147_100010232065 [1,0,1,0,0,0|1,0,1]=4 1034 B16R2.2875 CCOCCSc1cc2ccccc2o1 62a_100000210147_100010159458 [1,0,1,0,0,0|1,1,0]=4 1035 B16R2.2875 CCOCCSc1cc2ccccc2s1 62a_100000210147_100009816949 [1,0,1,0,0,0|1,0,0]=3 1036 B16R2.2875 CCOCCSc1cn2ccccc2n1 62a_100000210147_100009819586 [1,0,1,0,0,0|2,0,0]=4 1037 B16R2.2875 CCOCCSc1nc2ccccc2[nH]1 62a_100000210147_100009814255 [1,0,1,0,0,0|1,0,0]=3 1038 B16R2.2875 CCOCCSc1nc2ccccc2s1 62a_100000210147_100000751744 [1,0,1,0,0,0|0,0,0]=2 1039 B16R2.2875 CCOCCSc1nc2cccnc2s1 62a_100000210147_100010188088 [1,0,1,0,0,0|1,0,0]=3 1040 B16R2.2875 CCOCCSc1nc2cccnc2s1 62a_100010188088_100011215890 [1,0,1,0,0,0|1,0,0]=3 1041 B16R2.2875 CCOCSCc1nc2ccccc2s1 62a_100000739092_100000766747 [1,0,1,0,0,0|2,0,0]=4 1042 B16R2.2875 CCOCSCc1nc2ccccc2s1 62a_100011217541_100000739092 [1,0,1,0,0,0|2,0,0]=4 1043 B16R2.2875 CCSCCNc1nc2ccccc2[nH]1 27a_100000106463_100009814255 [1,0,1,0,0,0|1,1,0]=4 1044 B16R2.2875 CCSCCNc1nc2ccccc2s1 27a_100000106463_100000751744 [1,0,1,0,0,0|0,1,0]=3 1045 B16R2.2875 CCSCCNc1nc2cccnc2s1 27a_100000106463_100010188088 [1,0,1,0,0,0|1,1,0]=4 1046 B16R2.2875 CCSCCSc1cc2ccccc2s1 62a_100000757381_100009816949 [1,0,1,0,0,0|1,1,0]=4 1047 B16R2.2875 CCSCCSc1nc2ccccc2[nH]1 62a_100000757381_100009814255 [1,0,1,0,0,0|1,1,0]=4 1048 B16R2.2875 CCSCCSc1nc2ccccc2s1 62a_100000757381_100000751744 [1,0,1,0,0,0|0,1,0]=3 1049 B16R2.2875 CCSCCSc1nc2cccnc2s1 62a_100000757381_100010188088 [1,0,1,0,0,0|1,1,0]=4 1050 B16R2.2875 CCSCCSc1nc2cccnc2s1 62a_100010188088_100000757381 [1,0,1,0,0,0|1,1,0]=4 1051 B16R2.2875 COCCCNc1nc2ccccc2s1 27a_100150723488_100000751744 [1,0,1,0,0,0|2,0,0]=4 1052 B16R2.2875 COCCCSc1cc2ccccc2s1 62a_100000709357_100009816949 [1,0,1,0,0,0|2,0,0]=4 1053 B16R2.2875 COCCCSc1nc2ccccc2[nH]1 62a_100000709357_100009814255 [1,0,1,0,0,0|2,0,0]=4 1054 B16R2.2875 COCCCSc1nc2ccccc2s1 62a_100000709357_100000751744 [1,0,1,0,0,0|1,0,0]=3 1055 B16R2.2875 COCCCSc1nc2cccnc2s1 62a_100000709357_100010188088 [1,0,1,0,0,0|2,0,0]=4 1056 B16R2.2875 COCCCSc1nc2cccnc2s1 62a_100010188088_100000709357 [1,0,1,0,0,0|2,0,0]=4 1057 B16R2.2875 COCCNCc1cc2ccccc2s1 207a_100000209980_100000686906 [1,0,1,0,0,0|2,0,0]=4 1058 B16R2.2875 COCCNCc1cc2ccccc2s1 2230a_100015187092_100011201679 [1,0,1,0,0,0|2,0,0]=4 1059 B16R2.2875 COCCNCc1cc2ccccc2s1 270004a_100000209980_100000686906 [1,0,1,0,0,0|2,0,0]=4 1060 B16R2.2875 COCCNCc1nc2ccccc2[nH]1 207a_100000209980_100000185668 [1,0,1,0,0,0|2,0,0]=4 1061 B16R2.2875 COCCNCc1nc2ccccc2[nH]1 2230a_100000209980_100000737899 [1,0,1,0,0,0|2,0,0]=4 1062 B16R2.2875 COCCNCc1nc2ccccc2[nH]1 270004a_100000209980_100000185668 [1,0,1,0,0,0|2,0,0]=4 1063 B16R2.2875 COCCNCc1nc2ccccc2o1 2230a_100000209980_100000195508 [1,0,1,0,0,0|1,1,0]=4 1064 B16R2.2875 COCCNCc1nc2ccccc2s1 2230a_100000209980_100000766747 [1,0,1,0,0,0|1,0,0]=3 1065 B16R2.2875 COCCNCc1nc2ccccc2s1 270004a_100000209980_100011204187 [1,0,1,0,0,0|1,0,0]=3 1066 B16R2.2875 COCCOCc1nc2ccccc2s1 34a_100000210237_100011217541 [1,0,1,0,0,0|2,0,0]=4 1067 B16R2.2875 COCCSCc1nc2ccccc2s1 62a_100000233755_100000766747 [1,0,1,0,0,0|2,0,0]=4 1068 B16R2.2875 COCCSCc1nc2ccccc2s1 62a_100011217541_100000233755 [1,0,1,0,0,0|2,0,0]=4 1069 B16R2.2875 CSCCCNc1nc2ccccc2s1 27a_100000749238_100000751744 [1,0,1,0,0,0|2,0,0]=4 1070 B16R2.2875 CSCCNCc1nc2ccccc2s1 2230a_100020590264_100000766747 [1,0,1,0,0,0|1,1,0]=4 1071 B16R2.2875 CSCCNCc1nc2ccccc2s1 270004a_100020590264_100011204187 [1,0,1,0,0,0|1,1,0]=4 1072 B16R2.2875 FCCCCSc1nc2ccccc2s1 62a_100000729493_100000751744 [1,0,1,0,0,0|2,0,0]=4 1073 B16R2.2875 FCCCNCc1nc2ccccc2s1 2230a_100015189416_100000766747 [1,0,1,0,0,0|2,0,0]=4 1074 B16R2.2875 FCCCNCc1nc2ccccc2s1 270004a_100015189416_100011204187 [1,0,1,0,0,0|2,0,0]=4 1075 B16R2.2875 FCCCNCc1nc2ccccc2s1 34a_100015189416_100011217541 [1,0,1,0,0,0|2,0,0]=4 1076 B16R2.2875 OCCCCNc1nc2ccccc2s1 27a_100000750430_100000751744 [1,0,1,0,0,0|2,0,0]=4 1077 B16R2.2875 OCCCCSc1nc2ccccc2s1 62a_100000210776_100000751744 [1,0,1,0,0,0|2,0,0]=4 1078 B16R2.2875 OCCCNCc1nc2ccccc2s1 270004a_100000182051_100011204187 [1,0,1,0,0,0|2,0,0]=4 1079 B16R2.409 CCC(CC)Nc1nc2ccccc2s1 27a_100000199018_100000751744 [1,0,1,0,0,0|2,0,0]=4 1080 B16R2.409 CCC(CC)Sc1cc2ccccc2s1 62a_100000210505_100009816949 [1,0,1,0,0,0|2,0,0]=4 1081 B16R2.409 CCC(CC)Sc1nc2ccccc2[nH]1 62a_100000210505_100009814255 [1,0,1,0,0,0|2,0,0]=4 1082 B16R2.409 CCC(CC)Sc1nc2ccccc2s1 62a_100000210505_100000751744 [1,0,1,0,0,0|1,0,0]=3 1083 B16R2.409 CCC(CC)Sc1nc2cccnc2s1 62a_100000210505_100010188088 [1,0,1,0,0,0|2,0,0]=4 1084 B16R2.409 CCC(CC)Sc1nc2cccnc2s1 62a_100010188088_100000210505 [1,0,1,0,0,0|2,0,0]=4 1085 B16R2.409 CCN(CC)Cc1cc2ccccc2s1 270004a_100000724800_100000686906 [1,0,1,0,0,0|2,0,0]=4 1086 B16R2.409 CCN(CC)Cc1nc2ccccc2[nH]1 2230a_100000724800_100000737899 [1,0,1,0,0,0|2,0,0]=4 1087 B16R2.409 CCN(CC)Cc1nc2ccccc2[nH]1 269956a_100000042499_100000737899 [1,0,1,0,0,0|2,0,0]=4 1088 B16R2.409 CCN(CC)Cc1nc2ccccc2[nH]1 269982a_100000724800_100000737899 [1,0,1,0,0,0|2,0,0]=4 1089 B16R2.409 CCN(CC)Cc1nc2ccccc2[nH]1 270004a_100000724800_100000185668 [1,0,1,0,0,0|2,0,0]=4 1090 B16R2.409 CCN(CC)Cc1nc2ccccc2o1 2230a_100000724800_100000195508 [1,0,1,0,0,0|1,1,0]=4 1091 B16R2.409 CCN(CC)Cc1nc2ccccc2s1 2230a_100000724800_100000766747 [1,0,1,0,0,0|1,0,0]=3 1092 B16R2.409 CCN(CC)Cc1nc2ccccc2s1 269982a_100000724800_100011217541 [1,0,1,0,0,0|1,0,0]=3 1093 B16R2.409 CCN(CC)Cc1nc2ccccc2s1 270004a_100000724800_100011204187 [1,0,1,0,0,0|1,0,0]=3 1094 B16R2.409 CC[C@@H](CO)Nc1nc2ccccc2s1 27a_100000709445_100000751744 [1,0,1,0,0,0|2,0,0]=4 1095 B18R2.1885 COCCN(C)Cc1nc2ccccc2n1C 2230a_100000743101_100000748711 [0,1,1,0,0,0|2,0,0]=4 1096 B18R2.1885 COCCN(C)Cc1nc2ccccc2n1C 2230a_100000754622_100011201679 [0,1,1,0,0,0|2,0,0]=4 1097 B18R2.1885 COCCN(C)Cc1nc2ccccc2n1C 269982a_100000743101_100000748711 [0,1,1,0,0,0|2,0,0]=4 1098 B18R2.1885 COCCN(C)Cc1nc2ccccc2n1C 269982a_100000754622_100000233755 [0,1,1,0,0,0|2,0,0]=4 1099 B18R2.1885 COCCN(C)Cc1nc2ccccc2n1C 270004a_100000743101_100000188960 [0,1,1,0,0,0|2,0,0]=4 1100 B18R2.1885 COCCN(C)Cc1sc2ccccc2c1C 270004a_100000743101_100000038699 [0,1,1,0,0,0|2,0,0]=4 1101 B18R2.1885 COCCN(C)Cc1sc2ccccc2c1Cl 2230a_100000743101_100000021718 [0,1,1,0,0,0|2,0,0]=4 1102 B18R2.1885 COCCN(C)Cc1sc2ccccc2c1Cl 2230a_200015186408_100011201679 [0,1,1,0,0,0|2,0,0]=4 1103 B18R2.1885 COCCN(C)Cc1sc2ccccc2c1Cl 269982a_100000743101_100000021718 [0,1,1,0,0,0|2,0,0]=4 1104 B18R2.1885 COCCN(C)Cc1sc2ccccc2c1Cl 269982a_200015186408_100000233755 [0,1,1,0,0,0|2,0,0]=4 1105 B18R2.1885 COCCN(C)Cc1sc2ccccc2c1Cl 270004a_100000743101_100000017830 [0,1,1,0,0,0|2,0,0]=4 1106 B18R2.2362 C=COCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000039644 [0,1,1,0,0,0|1,0,1]=4 1107 B18R2.2362 C=COCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000039644 [0,1,1,0,0,0|1,0,1]=4 1108 B18R2.2362 CCCCCC(C)Sc1nc2ccccc2s1 62a_200011218191_100000751744 [0,1,1,0,0,0|2,0,0]=4 1109 B18R2.2362 CCCCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000210326 [0,1,1,0,0,0|2,0,0]=4 1110 B18R2.2362 CCCCCN(C)Cc1nc2ccccc2s1 2230a_100000223495_100000766747 [0,1,1,0,0,0|2,0,0]=4 1111 B18R2.2362 CCCCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000210215 [0,1,1,0,0,0|2,0,0]=4 1112 B18R2.2362 CCCCCN(C)Cc1nc2ccccc2s1 269982a_100000223495_100011217541 [0,1,1,0,0,0|2,0,0]=4 1113 B18R2.2362 CCCCCN(C)Cc1nc2ccccc2s1 270004a_100000223495_100011204187 [0,1,1,0,0,0|2,0,0]=4 1114 B18R2.2362 CCOCCN(C)Cc1cc2ccccc2s1 2230a_100015183267_100011215890 [0,1,1,0,0,0|2,0,0]=4 1115 B18R2.2362 CCOCCN(C)Cc1cc2ccccc2s1 269982a_100015183267_100011215890 [0,1,1,0,0,0|2,0,0]=4 1116 B18R2.2362 CCOCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_100011215890 [0,1,1,0,0,0|2,0,0]=4 1117 B18R2.2362 CCOCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_100011215890 [0,1,1,0,0,0|2,0,0]=4 1118 B18R2.2362 CCOCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100011215890 [0,1,1,0,0,0|1,0,0]=3 1119 B18R2.2362 CCOCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100011215890 [0,1,1,0,0,0|1,0,0]=3 1120 B18R2.2362 CCSCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000757381 [0,1,1,0,0,0|1,1,0]=4 1121 B18R2.2362 CCSCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000757381 [0,1,1,0,0,0|1,1,0]=4 1122 B18R2.2362 CN(CCCCF)Cc1nc2ccccc2s1 2230a_100000204650_100000729493 [0,1,1,0,0,0|2,0,0]=4 1123 B18R2.2362 CN(CCCCF)Cc1nc2ccccc2s1 269982a_100000204650_100000729493 [0,1,1,0,0,0|2,0,0]=4 1124 B18R2.2362 CN(CCCCO)Cc1nc2ccccc2s1 2230a_100000204650_100000210776 [0,1,1,0,0,0|2,0,0]=4 1125 B18R2.2362 CN(CCCCO)Cc1nc2ccccc2s1 2230a_100000717598_100000766747 [0,1,1,0,0,0|2,0,0]=4 1126 B18R2.2362 CN(CCCCO)Cc1nc2ccccc2s1 269982a_100000204650_100000210776 [0,1,1,0,0,0|2,0,0]=4 1127 B18R2.2362 CN(CCCCO)Cc1nc2ccccc2s1 269982a_100000717598_100011217541 [0,1,1,0,0,0|2,0,0]=4 1128 B18R2.2362 CN(CCCCO)Cc1nc2ccccc2s1 270004a_100000717598_100011204187 [0,1,1,0,0,0|2,0,0]=4 1129 B18R2.2362 COCCCN(C)Cc1cc2ccccc2s1 2230a_100015183267_100000740836 [0,1,1,0,0,0|2,0,0]=4 1130 B18R2.2362 COCCCN(C)Cc1cc2ccccc2s1 269982a_100015183267_100000740836 [0,1,1,0,0,0|2,0,0]=4 1131 B18R2.2362 COCCCN(C)Cc1cc2ccccc2s1 270004a_100000224831_100000686906 [0,1,1,0,0,0|2,0,0]=4 1132 B18R2.2362 COCCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000224831_100000737899 [0,1,1,0,0,0|2,0,0]=4 1133 B18R2.2362 COCCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_100000740836 [0,1,1,0,0,0|2,0,0]=4 1134 B18R2.2362 COCCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000224831_100000737899 [0,1,1,0,0,0|2,0,0]=4 1135 B18R2.2362 COCCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_100000740836 [0,1,1,0,0,0|2,0,0]=4 1136 B18R2.2362 COCCCN(C)Cc1nc2ccccc2[nH]1 270004a_100000224831_100000185668 [0,1,1,0,0,0|2,0,0]=4 1137 B18R2.2362 COCCCN(C)Cc1nc2ccccc2o1 2230a_100000224831_100000195508 [0,1,1,0,0,0|1,1,0]=4 1138 B18R2.2362 COCCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000740836 [0,1,1,0,0,0|1,0,0]=3 1139 B18R2.2362 COCCCN(C)Cc1nc2ccccc2s1 2230a_100000224831_100000766747 [0,1,1,0,0,0|1,0,0]=3 1140 B18R2.2362 COCCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000740836 [0,1,1,0,0,0|1,0,0]=3 1141 B18R2.2362 COCCCN(C)Cc1nc2ccccc2s1 269982a_100000224831_100011217541 [0,1,1,0,0,0|1,0,0]=3 1142 B18R2.2362 COCCCN(C)Cc1nc2ccccc2s1 270004a_100000224831_100011204187 [0,1,1,0,0,0|1,0,0]=3 1143 B18R2.7995 CCC(C)CN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000748023 [0,1,1,0,0,0|2,0,0]=4 1144 B18R2.7995 CCC(C)CN(C)Cc1nc2ccccc2s1 2230a_100000753921_100000766747 [0,1,1,0,0,0|2,0,0]=4 1145 B18R2.7995 CCC(C)CN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000748023 [0,1,1,0,0,0|2,0,0]=4 1146 B18R2.7995 CCC(C)CN(C)Cc1nc2ccccc2s1 269982a_100000753921_100011217541 [0,1,1,0,0,0|2,0,0]=4 1147 B18R2.7995 CCC(C)CN(C)Cc1nc2ccccc2s1 270004a_100000204650_100000243153 [0,1,1,0,0,0|2,0,0]=4 1148 B18R2.7995 CCC(C)CN(C)Cc1nc2ccccc2s1 270004a_100000753921_100011204187 [0,1,1,0,0,0|2,0,0]=4 1149 B18R2.7995 CCC(O)CN(C)Cc1nc2ccccc2s1 2230a_100000204650_100011218378 [0,1,1,0,0,0|2,0,0]=4 1150 B18R2.7995 CCC(O)CN(C)Cc1nc2ccccc2s1 269982a_100000204650_100011218378 [0,1,1,0,0,0|2,0,0]=4 1151 B18R2.7995 CC[C@H](C)CN(C)Cc1nc2ccccc2s1 2230a_100000204650_100009816398 [0,1,1,0,0,0|2,0,0]=4 1152 B18R2.7995 CC[C@H](C)CN(C)Cc1nc2ccccc2s1 269982a_100000204650_100009816398 [0,1,1,0,0,0|2,0,0]=4 1153 B18R2.7995 COC(=O)CC(C)Sc1nc2ccccc2s1 62a_100009817358_100000751744 [0,1,1,0,0,0|1,0,1]=4 1154 B18R2.7995 COC(=O)CN(C)Cc1nc2ccccc2s1 2230a_100000198492_100000766747 [0,1,1,0,0,0|1,0,1]=4 1155 B18R2.7995 COC(=O)CN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000747449 [0,1,1,0,0,0|1,0,1]=4 1156 B18R2.7995 COC(=O)CN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000747449 [0,1,1,0,0,0|1,0,1]=4 1157 B18R2.7995 COC(=O)CN(C)Cc1nc2ccccc2s1 270004a_100000198492_100011204187 [0,1,1,0,0,0|1,0,1]=4 1158 B18R2.12168 CCCCC(CC)Sc1nc2ccccc2s1 62a_200011216223_100000751744 [0,1,1,0,0,0|2,0,0]=4 1159 B18R2.12168 CCCCN(CC)Cc1nc2ccccc2s1 2230a_100000207695_100000766747 [0,1,1,0,0,0|2,0,0]=4 1160 B18R2.12168 CCCCN(CC)Cc1nc2ccccc2s1 269982a_100000207695_100011217541 [0,1,1,0,0,0|2,0,0]=4 1161 B18R2.12168 CCCCN(CC)Cc1nc2ccccc2s1 270004a_100000207695_100011204187 [0,1,1,0,0,0|2,0,0]=4 1162 B18R2.12168 CCN(CCOC)Cc1cc2ccccc2s1 270004a_100000731262_100000686906 [0,1,1,0,0,0|2,0,0]=4 1163 B18R2.12168 CCN(CCOC)Cc1nc2ccccc2[nH]1 2230a_100000731262_100000737899 [0,1,1,0,0,0|2,0,0]=4 1164 B18R2.12168 CCN(CCOC)Cc1nc2ccccc2[nH]1 269982a_100000731262_100000737899 [0,1,1,0,0,0|2,0,0]=4 1165 B18R2.12168 CCN(CCOC)Cc1nc2ccccc2[nH]1 270004a_100000731262_100000185668 [0,1,1,0,0,0|2,0,0]=4 1166 B18R2.12168 CCN(CCOC)Cc1nc2ccccc2o1 2230a_100000731262_100000195508 [0,1,1,0,0,0|1,1,0]=4 1167 B18R2.12168 CCN(CCOC)Cc1nc2ccccc2s1 2230a_100000731262_100000766747 [0,1,1,0,0,0|1,0,0]=3 1168 B18R2.12168 CCN(CCOC)Cc1nc2ccccc2s1 269982a_100000731262_100011217541 [0,1,1,0,0,0|1,0,0]=3 1169 B18R2.12168 CCN(CCOC)Cc1nc2ccccc2s1 270004a_100000731262_100011204187 [0,1,1,0,0,0|1,0,0]=3 1170 B18R2.14631 C=C(C)CCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000730704 [0,1,1,0,0,0|2,0,0]=4 1171 B18R2.14631 C=C(C)CCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000730704 [0,1,1,0,0,0|2,0,0]=4 1172 B18R2.14631 CC(=O)CCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000053229 [0,1,1,0,0,0|2,0,0]=4 1173 B18R2.14631 CC(C)CCC(C)Sc1nc2ccccc2s1 62a_100011261404_100000751744 [0,1,1,0,0,0|2,0,0]=4 1174 B18R2.14631 CC(C)CCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000210312 [0,1,1,0,0,0|2,0,0]=4 1175 B18R2.14631 CC(C)CCN(C)Cc1nc2ccccc2s1 2230a_100000742789_100000766747 [0,1,1,0,0,0|2,0,0]=4 1176 B18R2.14631 CC(C)CCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000210312 [0,1,1,0,0,0|2,0,0]=4 1177 B18R2.14631 CC(C)CCN(C)Cc1nc2ccccc2s1 269982a_100000742789_100011217541 [0,1,1,0,0,0|2,0,0]=4 1178 B18R2.14631 CC(C)CCN(C)Cc1nc2ccccc2s1 270004a_100000742789_100011204187 [0,1,1,0,0,0|2,0,0]=4 1179 B18R2.14631 CC(O)CCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100012276601 [0,1,1,0,0,0|2,0,0]=4 1180 B18R2.14631 CC(O)CCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100012276601 [0,1,1,0,0,0|2,0,0]=4 1181 B18R2.14631 CN(C)CCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000755713 [0,1,1,0,0,0|2,0,0]=4 1182 B18R2.14631 CN(C)CCN(C)Cc1nc2ccccc2s1 269982a_100000225618_100011217541 [0,1,1,0,0,0|2,0,0]=4 1183 B18R2.14631 CN(C)CCN(C)Cc1nc2ccccc2s1 270004a_100000225618_100011204187 [0,1,1,0,0,0|2,0,0]=4 1184 B18R2.14666 CCCC(C)N(C)Cc1nc2ccccc2s1 2230a_100000204650_100000766640 [0,1,1,0,0,0|2,0,0]=4 1185 B18R2.14666 CCCC(C)N(C)Cc1nc2ccccc2s1 269982a_100000204650_100000766640 [0,1,1,0,0,0|2,0,0]=4 1186 B18R2.14666 CCCC(C)N(C)Cc1nc2ccccc2s1 270004a_100000204650_100000211909 [0,1,1,0,0,0|2,0,0]=4 1187 B18R2.14666 COCC(=O)N(C)Cc1nc2ccccc2s1 11a_100000204650_100000210968 [0,1,1,0,0,0|1,0,1]=4 1188 B18R2.14666 COCC(=O)N(C)Cc1nc2ccccc2s1 1626a_100000204650_100000210968 [0,1,1,0,0,0|1,0,1]=4 1189 B18R2.14666 COCC(=O)N(C)Cc1nc2ccccc2s1 240690a_100000204650_100000210968 [0,1,1,0,0,0|1,0,1]=4 1190 B18R2.14666 COCC(=O)N(C)Cc1nc2ccccc2s1 527a_100000204650_100000210968 [0,1,1,0,0,0|1,0,1]=4 1191 B18R2.14666 COCC(C)N(C)Cc1cc2ccccc2s1 2230a_100015183267_100000765312 [0,1,1,0,0,0|2,0,0]=4 1192 B18R2.14666 COCC(C)N(C)Cc1cc2ccccc2s1 269982a_100015183267_100000765312 [0,1,1,0,0,0|2,0,0]=4 1193 B18R2.14666 COCC(C)N(C)Cc1cc2ccccc2s1 270004a_100015183267_100000749346 [0,1,1,0,0,0|2,0,0]=4 1194 B18R2.14666 COCC(C)N(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_100000765312 [0,1,1,0,0,0|2,0,0]=4 1195 B18R2.14666 COCC(C)N(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_100000765312 [0,1,1,0,0,0|2,0,0]=4 1196 B18R2.14666 COCC(C)N(C)Cc1nc2ccccc2[nH]1 270004a_100000736437_100000749346 [0,1,1,0,0,0|2,0,0]=4 1197 B18R2.14666 COCC(C)N(C)Cc1nc2ccccc2s1 2230a_100000204650_100000765312 [0,1,1,0,0,0|1,0,0]=3 1198 B18R2.14666 COCC(C)N(C)Cc1nc2ccccc2s1 269982a_100000204650_100000765312 [0,1,1,0,0,0|1,0,0]=3 1199 B18R2.14666 COCC(C)N(C)Cc1nc2ccccc2s1 270004a_100000204650_100000749346 [0,1,1,0,0,0|1,0,0]=3 1200 B18R2.14666 CSCC(C)N(C)Cc1nc2ccccc2s1 270004a_100000204650_100011216314 [0,1,1,0,0,0|1,1,0]=4 1201 B18R2.33343 COCCN(C)C(C)c1nc2ccccc2[nH]1 270004a_100000743101_100000199114 [0,1,1,0,0,0|2,0,0]=4 1202 B18R2.33939 CCCCC(C)Sc1nc2cc(ccc2s1)F 62a_200010206605_200011215066 [0,1,1,0,0,0|2,0,0]=4 1203 B18R2.33939 CCCCC(C)Sc1nc2cc(ccc2s1)F 62a_200011215066_200010206605 [0,1,1,0,0,0|2,0,0]=4 1204 B18R2.33939 CCCCC(C)Sc1nc2cc(ccc2s1)N 62a_100010329861_200011215066 [0,1,1,0,0,0|2,0,0]=4 1205 B18R2.33939 CCCCC(C)Sc1nc2cc(ccc2s1)N 62a_200011215066_100010329861 [0,1,1,0,0,0|2,0,0]=4 1206 B18R2.33939 CCCCC(C)Sc1nc2ccc(cc2s1)C 62a_200011215066_100010186437 [0,1,1,0,0,0|2,0,0]=4 1207 B18R2.33939 CCCCC(C)Sc1nc2ccc(cc2s1)F 62a_100000751617_200011215066 [0,1,1,0,0,0|2,0,0]=4 1208 B18R2.33939 CCCCC(C)Sc1nc2ccc(cc2s1)F 62a_200011215066_100000751617 [0,1,1,0,0,0|2,0,0]=4 1209 B18R2.33939 CCCCC(C)Sc1nc2ccc(cc2s1)N 62a_100010253933_200011215066 [0,1,1,0,0,0|2,0,0]=4 1210 B18R2.33939 CCCCC(C)Sc1nc2ccc(cc2s1)N 62a_200011215066_100010253933 [0,1,1,0,0,0|2,0,0]=4 1211 B18R2.33939 CCCCC(C)Sc1nc2ccc(cc2s1)O 62a_200011215066_100010063415 [0,1,1,0,0,0|2,0,0]=4 1212 B18R2.33939 COCCN(C)Cc1cc2cc(ccc2s1)Br 270004a_100000743101_100010238522 [0,1,1,0,0,0|2,0,0]=4 1213 B18R2.33939 COCCN(C)Cc1cc2cc(ccc2s1)C 270004a_100000743101_100000050833 [0,1,1,0,0,0|2,0,0]=4 1214 B18R2.33939 COCCN(C)Cc1cc2cc(ccc2s1)Cl 270004a_100000743101_200000119088 [0,1,1,0,0,0|2,0,0]=4 1215 B18R2.33939 COCCN(C)Cc1cc2ccc(cc2s1)Br 270004a_100000743101_100009814784 [0,1,1,0,0,0|2,0,0]=4 1216 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2[nH]1)Br 2230a_100000743101_100000701424 [0,1,1,0,0,0|2,0,0]=4 1217 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2[nH]1)Br 269982a_100000743101_100000701424 [0,1,1,0,0,0|2,0,0]=4 1218 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2[nH]1)C 2230a_200015187218_100011201679 [0,1,1,0,0,0|2,0,0]=4 1219 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2[nH]1)C 269982a_200015187218_100000233755 [0,1,1,0,0,0|2,0,0]=4 1220 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2[nH]1)Cl 2230a_100000743101_100000179801 [0,1,1,0,0,0|2,0,0]=4 1221 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2[nH]1)Cl 2230a_200015185327_100011201679 [0,1,1,0,0,0|2,0,0]=4 1222 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2[nH]1)Cl 269982a_100000743101_100000179801 [0,1,1,0,0,0|2,0,0]=4 1223 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2[nH]1)Cl 269982a_200015185327_100000233755 [0,1,1,0,0,0|2,0,0]=4 1224 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2[nH]1)F 270004a_100000743101_200011915233 [0,1,1,0,0,0|2,0,0]=4 1225 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2o1)Br 2230a_100000743101_100000730559 [0,1,1,0,0,0|1,1,0]=4 1226 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2o1)C 2230a_100000743101_100011374149 [0,1,1,0,0,0|1,1,0]=4 1227 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2o1)C 269982a_100000743101_100011374149 [0,1,1,0,0,0|1,1,0]=4 1228 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2o1)Cl 2230a_100000743101_100011222916 [0,1,1,0,0,0|1,1,0]=4 1229 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2o1)Cl 269982a_100000743101_100011222916 [0,1,1,0,0,0|1,1,0]=4 1230 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2o1)F 2230a_100000743101_100000687093 [0,1,1,0,0,0|1,1,0]=4 1231 B18R2.33939 COCCN(C)Cc1nc2cc(ccc2o1)F 269982a_100000743101_100000687093 [0,1,1,0,0,0|1,1,0]=4 1232 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2[nH]1)Br 270004a_100000743101_200011361486 [0,1,1,0,0,0|2,0,0]=4 1233 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2[nH]1)C 2230a_100000743101_100020603265 [0,1,1,0,0,0|2,0,0]=4 1234 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2[nH]1)C 269982a_100000743101_100020603265 [0,1,1,0,0,0|2,0,0]=4 1235 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2[nH]1)F 2230a_100000743101_200011347187 [0,1,1,0,0,0|2,0,0]=4 1236 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2[nH]1)F 2230a_100015183913_100011201679 [0,1,1,0,0,0|2,0,0]=4 1237 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2[nH]1)F 269982a_100000743101_200011347187 [0,1,1,0,0,0|2,0,0]=4 1238 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2[nH]1)F 269982a_100015183913_100000233755 [0,1,1,0,0,0|2,0,0]=4 1239 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2o1)Br 2230a_100000743101_100000729449 [0,1,1,0,0,0|1,1,0]=4 1240 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2o1)C 2230a_100000743101_100011295139 [0,1,1,0,0,0|1,1,0]=4 1241 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2o1)C 269982a_100000743101_100011295139 [0,1,1,0,0,0|1,1,0]=4 1242 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2o1)F 2230a_100000743101_100000687025 [0,1,1,0,0,0|1,1,0]=4 1243 B18R2.33939 COCCN(C)Cc1nc2ccc(cc2o1)F 269982a_100000743101_100000687025 [0,1,1,0,0,0|1,1,0]=4 1244 B18R2.33944 CCCCC(C)Sc1nc2c(cccc2s1)C 62a_200011215066_100010008827 [0,1,1,0,0,0|2,0,0]=4 1245 B18R2.33944 CCCCC(C)Sc1nc2c(cccc2s1)F 62a_200011215066_100010008856 [0,1,1,0,0,0|2,0,0]=4 1246 B18R2.33944 COCCN(C)Cc1cc2c(cccc2s1)Br 270004a_100000743101_100010109917 [0,1,1,0,0,0|2,0,0]=4 1247 B18R2.33944 COCCN(C)Cc1cc2c(cccc2s1)Cl 270004a_100000743101_100000117544 [0,1,1,0,0,0|2,0,0]=4 1248 B18R2.33944 COCCN(C)Cc1cc2cccc(c2s1)Br 270004a_100000743101_100010110135 [0,1,1,0,0,0|2,0,0]=4 1249 B18R2.33944 COCCN(C)Cc1nc2c(cccc2o1)C 2230a_100000743101_100011397728 [0,1,1,0,0,0|1,1,0]=4 1250 B18R2.33944 COCCN(C)Cc1nc2c(cccc2o1)C 269982a_100000743101_100011397728 [0,1,1,0,0,0|1,1,0]=4 1251 B18R2.33944 COCCN(C)Cc1nc2cccc(c2[nH]1)C 2230a_100015185812_100011201679 [0,1,1,0,0,0|2,0,0]=4 1252 B18R2.33944 COCCN(C)Cc1nc2cccc(c2[nH]1)C 269982a_100015185812_100000233755 [0,1,1,0,0,0|2,0,0]=4 1253 B18R2.1897 CCCCC(C)NCc1nc2ccccc2s1 2230a_100000126638_100000766747 [0,1,1,0,0,0|2,0,0]=4 1254 B18R2.1897 CCCCC(C)NCc1nc2ccccc2s1 270004a_100000126638_100011204187 [0,1,1,0,0,0|2,0,0]=4 1255 B18R2.1897 CCOCC(=O)NCc1nc2ccccc2s1 11a_100000174905_100000211967 [0,1,1,0,0,0|1,0,1]=4 1256 B18R2.1897 CCOCC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100000211967 [0,1,1,0,0,0|1,0,1]=4 1257 B18R2.1897 CCOCC(=O)NCc1nc2ccccc2s1 240690a_100000174905_100000211967 [0,1,1,0,0,0|1,0,1]=4 1258 B18R2.1897 CCOCC(=O)NCc1nc2ccccc2s1 527a_100000174905_100000211967 [0,1,1,0,0,0|1,0,1]=4 1259 B18R2.1897 CCOCC(=O)NNc1nc2ccccc2s1 22a_100000181811_100000211967 [0,1,1,0,0,0|1,0,1]=4 1260 B18R2.1897 CCOCC(C)OCc1nc2ccccc2s1 34a_100000718985_100011217541 [0,1,1,0,0,0|2,0,0]=4 1261 B18R2.1897 CCOCC(C)OCc1nc2ccccc2s1 7a_100000718985_100011217541 [0,1,1,0,0,0|2,0,0]=4 1262 B18R2.1897 CCOCC(O)CNc1nc2ccccc2s1 27a_102515437182_100000751744 [0,1,1,0,0,0|2,0,0]=4 1263 B18R2.2815 CCOCCCSc1nc2ccccc2n1C 62a_100012232248_200000239431 [0,1,1,0,0,0|2,0,0]=4 1264 B18R2.2815 CCOCCCSc1nc2ccccc2n1C 62a_200000239431_100012232248 [0,1,1,0,0,0|2,0,0]=4 1265 B18R2.2815 CCOCCCSc1sc2ccccc2c1Br 62a_100012232248_100015504031 [0,1,1,0,0,0|2,0,0]=4 1266 B18R2.2815 CCOCCCSc1sc2ccccc2c1Br 62a_100015504031_100012232248 [0,1,1,0,0,0|2,0,0]=4 1267 B18R2.2815 CCOCCCSc1sc2ccccc2c1C 62a_100012232248_200010198769 [0,1,1,0,0,0|2,0,0]=4 1268 B18R2.2815 CCOCCNCc1nc2ccccc2n1C 207a_100011200944_100000188960 [0,1,1,0,0,0|2,0,0]=4 1269 B18R2.2815 CCOCCNCc1nc2ccccc2n1C 2230a_102516460346_100000748711 [0,1,1,0,0,0|2,0,0]=4 1270 B18R2.2815 CCOCCNCc1nc2ccccc2n1C 270004a_102516460346_100000188960 [0,1,1,0,0,0|2,0,0]=4 1271 B18R2.2815 CCOCCNCc1nc2ccccc2n1C 34a_102516460346_100000748711 [0,1,1,0,0,0|2,0,0]=4 1272 B18R2.2815 CCOCCNCc1sc2ccccc2c1Br 207a_100011200944_100009816528 [0,1,1,0,0,0|2,0,0]=4 1273 B18R2.2815 CCOCCNCc1sc2ccccc2c1C 207a_100011200944_100000038699 [0,1,1,0,0,0|2,0,0]=4 1274 B18R2.2815 CCOCCNCc1sc2ccccc2c1C 270004a_102516460346_100000038699 [0,1,1,0,0,0|2,0,0]=4 1275 B18R2.2815 CCOCCNCc1sc2ccccc2c1Cl 207a_100011200944_100000017830 [0,1,1,0,0,0|2,0,0]=4 1276 B18R2.2815 CCOCCNCc1sc2ccccc2c1Cl 2230a_102516460346_100000021718 [0,1,1,0,0,0|2,0,0]=4 1277 B18R2.2815 CCOCCNCc1sc2ccccc2c1Cl 2230a_200015185765_100011215890 [0,1,1,0,0,0|2,0,0]=4 1278 B18R2.2815 CCOCCNCc1sc2ccccc2c1Cl 270004a_102516460346_100000017830 [0,1,1,0,0,0|2,0,0]=4 1279 B18R2.2815 CCOCCNCc1sc2ccccc2c1Cl 34a_102516460346_100000021718 [0,1,1,0,0,0|2,0,0]=4 1280 B18R2.7093 CC(=O)OCCCSc1nc2ccccc2s1 62a_100000042594_100000751744 [0,1,1,0,0,0|1,0,1]=4 1281 B18R2.7093 CC(=S)OCCCSc1nc2ccccc2s1 62a_200135323944_100000751744 [0,1,1,0,0,0|1,0,1]=4 1282 B18R2.7093 CC(C)CCCCSc1nc2ccccc2s1 62a_100011216152_100000751744 [0,1,1,0,0,0|2,0,0]=4 1283 B18R2.7093 CC(C)CCCNCc1nc2ccccc2s1 2230a_200000737386_100000766747 [0,1,1,0,0,0|2,0,0]=4 1284 B18R2.7093 CC(C)CCCNCc1nc2ccccc2s1 270004a_200000737386_100011204187 [0,1,1,0,0,0|2,0,0]=4 1285 B18R2.7093 CC(C)CCCNCc1nc2ccccc2s1 34a_200000737386_100011217541 [0,1,1,0,0,0|2,0,0]=4 1286 B18R2.7093 CC(C)OCCCNc1nc2ccccc2s1 27a_100000737246_100000751744 [0,1,1,0,0,0|2,0,0]=4 1287 B18R2.7093 CC(C)OCCNCc1cc2ccccc2s1 207a_100000701111_100000686906 [0,1,1,0,0,0|2,0,0]=4 1288 B18R2.7093 CC(C)OCCNCc1cc2ccccc2s1 2230a_100015187092_100000211751 [0,1,1,0,0,0|2,0,0]=4 1289 B18R2.7093 CC(C)OCCNCc1cc2ccccc2s1 270004a_100000701111_100000686906 [0,1,1,0,0,0|2,0,0]=4 1290 B18R2.7093 CC(C)OCCNCc1nc2ccccc2[nH]1 207a_100000701111_100000185668 [0,1,1,0,0,0|2,0,0]=4 1291 B18R2.7093 CC(C)OCCNCc1nc2ccccc2[nH]1 2230a_100000701111_100000737899 [0,1,1,0,0,0|2,0,0]=4 1292 B18R2.7093 CC(C)OCCNCc1nc2ccccc2[nH]1 270004a_100000701111_100000185668 [0,1,1,0,0,0|2,0,0]=4 1293 B18R2.7093 CC(C)OCCNCc1nc2ccccc2o1 2230a_100000701111_100000195508 [0,1,1,0,0,0|1,1,0]=4 1294 B18R2.7093 CC(C)OCCNCc1nc2ccccc2o1 34a_100000701111_200012361514 [0,1,1,0,0,0|1,1,0]=4 1295 B18R2.7093 CC(C)OCCNCc1nc2ccccc2s1 2230a_100000701111_100000766747 [0,1,1,0,0,0|1,0,0]=3 1296 B18R2.7093 CC(C)OCCNCc1nc2ccccc2s1 270004a_100000701111_100011204187 [0,1,1,0,0,0|1,0,0]=3 1297 B18R2.7093 CC(C)OCCNCc1nc2ccccc2s1 34a_100000701111_100011217541 [0,1,1,0,0,0|1,0,0]=3 1298 B18R2.7093 CC(C)OCCOCc1nc2ccccc2s1 34a_100000211219_100011217541 [0,1,1,0,0,0|2,0,0]=4 1299 B18R2.7093 CC(C)OCCOCc1nc2ccccc2s1 7a_100000211219_100011217541 [0,1,1,0,0,0|2,0,0]=4 1300 B18R2.7093 CC(C)OCCSCc1nc2ccccc2s1 62a_100000211751_100000766747 [0,1,1,0,0,0|2,0,0]=4 1301 B18R2.7093 CC(C)OCCSCc1nc2ccccc2s1 62a_100011217541_100000211751 [0,1,1,0,0,0|2,0,0]=4 1302 B18R2.7093 CC(C)SCCNCc1nc2ccccc2s1 2230a_100000731138_100000766747 [0,1,1,0,0,0|1,1,0]=4 1303 B18R2.7093 CC(C)SCCNCc1nc2ccccc2s1 270004a_100000731138_100011204187 [0,1,1,0,0,0|1,1,0]=4 1304 B18R2.7093 CC(C)SCCNCc1nc2ccccc2s1 34a_100000731138_100011217541 [0,1,1,0,0,0|1,1,0]=4 1305 B18R2.7339 BrCCOCCOCc1nc2ccccc2s1 34a_100000692535_100011217541 [0,1,1,0,0,0|2,0,0]=4 1306 B18R2.7339 BrCCOCCOCc1nc2ccccc2s1 7a_100000692535_100011217541 [0,1,1,0,0,0|2,0,0]=4 1307 B18R2.7339 C#CCOCCNCc1nc2ccccc2s1 2230a_100000700922_100000766747 [0,1,1,0,0,0|1,0,1]=4 1308 B18R2.7339 C#CCOCCNCc1nc2ccccc2s1 34a_100000700922_100011217541 [0,1,1,0,0,0|1,0,1]=4 1309 B18R2.7339 CCCCCCCSc1nc2ccccc2s1 62a_100000210614_100000751744 [0,1,1,0,0,0|2,0,0]=4 1310 B18R2.7339 CCCCCCNCc1nc2ccccc2s1 2230a_100000210581_100000766747 [0,1,1,0,0,0|2,0,0]=4 1311 B18R2.7339 CCCCCCNCc1nc2ccccc2s1 270004a_100000210581_100011204187 [0,1,1,0,0,0|2,0,0]=4 1312 B18R2.7339 CCCCCCSCc1nc2ccccc2s1 62a_100000210314_100000766747 [0,1,1,0,0,0|2,0,0]=4 1313 B18R2.7339 CCCCCCSCc1nc2ccccc2s1 62a_100011217541_100000210757 [0,1,1,0,0,0|2,0,0]=4 1314 B18R2.7339 CCCCCNN=Cc1nc2ccccc2s1 4a_100000694160_100011204187 [0,1,1,0,0,0|2,0,0]=4 1315 B18R2.7339 CCCCOCCSc1nc2ccccc2s1 62a_100000743108_100000751744 [0,1,1,0,0,0|2,0,0]=4 1316 B18R2.7339 CCCOCCCNc1nc2ccccc2s1 27a_100011217757_100000751744 [0,1,1,0,0,0|2,0,0]=4 1317 B18R2.7339 CCCOCCNCc1cc2ccccc2s1 207a_100161115042_100000686906 [0,1,1,0,0,0|2,0,0]=4 1318 B18R2.7339 CCCOCCNCc1cc2ccccc2s1 2230a_100015187092_100011215938 [0,1,1,0,0,0|2,0,0]=4 1319 B18R2.7339 CCCOCCNCc1cc2ccccc2s1 270004a_100161115042_100000686906 [0,1,1,0,0,0|2,0,0]=4 1320 B18R2.7339 CCCOCCNCc1nc2ccccc2[nH]1 207a_100161115042_100000185668 [0,1,1,0,0,0|2,0,0]=4 1321 B18R2.7339 CCCOCCNCc1nc2ccccc2[nH]1 2230a_100161115042_100000737899 [0,1,1,0,0,0|2,0,0]=4 1322 B18R2.7339 CCCOCCNCc1nc2ccccc2[nH]1 270004a_100161115042_100000185668 [0,1,1,0,0,0|2,0,0]=4 1323 B18R2.7339 CCCOCCNCc1nc2ccccc2o1 2230a_100161115042_100000195508 [0,1,1,0,0,0|1,1,0]=4 1324 B18R2.7339 CCCOCCNCc1nc2ccccc2o1 34a_100161115042_200012361514 [0,1,1,0,0,0|1,1,0]=4 1325 B18R2.7339 CCCOCCNCc1nc2ccccc2s1 2230a_100161115042_100000766747 [0,1,1,0,0,0|1,0,0]=3 1326 B18R2.7339 CCCOCCNCc1nc2ccccc2s1 270004a_100161115042_100011204187 [0,1,1,0,0,0|1,0,0]=3 1327 B18R2.7339 CCCOCCNCc1nc2ccccc2s1 34a_100161115042_100011217541 [0,1,1,0,0,0|1,0,0]=3 1328 B18R2.7339 CCCOCCOCc1nc2ccccc2s1 34a_100000752267_100011217541 [0,1,1,0,0,0|2,0,0]=4 1329 B18R2.7339 CCCOCCOCc1nc2ccccc2s1 7a_100000752267_100011217541 [0,1,1,0,0,0|2,0,0]=4 1330 B18R2.7339 CCCOCCSCc1nc2ccccc2s1 62a_100011215938_100000766747 [0,1,1,0,0,0|2,0,0]=4 1331 B18R2.7339 CCCOCCSCc1nc2ccccc2s1 62a_100011217541_100011215938 [0,1,1,0,0,0|2,0,0]=4 1332 B18R2.7339 CCCSCCNCc1nc2ccccc2s1 2230a_100020603323_100000766747 [0,1,1,0,0,0|1,1,0]=4 1333 B18R2.7339 CCCSCCNCc1nc2ccccc2s1 270004a_100020603323_100011204187 [0,1,1,0,0,0|1,1,0]=4 1334 B18R2.7339 CCOCCCNCc1cc2ccccc2s1 207a_100000210961_100000686906 [0,1,1,0,0,0|2,0,0]=4 1335 B18R2.7339 CCOCCCNCc1cc2ccccc2s1 2230a_100015187092_100012232248 [0,1,1,0,0,0|2,0,0]=4 1336 B18R2.7339 CCOCCCNCc1cc2ccccc2s1 270004a_100000210961_100000686906 [0,1,1,0,0,0|2,0,0]=4 1337 B18R2.7339 CCOCCCNCc1nc2ccccc2[nH]1 207a_100000210961_100000185668 [0,1,1,0,0,0|2,0,0]=4 1338 B18R2.7339 CCOCCCNCc1nc2ccccc2[nH]1 2230a_100000210961_100000737899 [0,1,1,0,0,0|2,0,0]=4 1339 B18R2.7339 CCOCCCNCc1nc2ccccc2[nH]1 270004a_100000210961_100000185668 [0,1,1,0,0,0|2,0,0]=4 1340 B18R2.7339 CCOCCCNCc1nc2ccccc2o1 2230a_100000210961_100000195508 [0,1,1,0,0,0|1,1,0]=4 1341 B18R2.7339 CCOCCCNCc1nc2ccccc2o1 34a_100000210961_200012361514 [0,1,1,0,0,0|1,1,0]=4 1342 B18R2.7339 CCOCCCNCc1nc2ccccc2s1 2230a_100000210961_100000766747 [0,1,1,0,0,0|1,0,0]=3 1343 B18R2.7339 CCOCCCNCc1nc2ccccc2s1 270004a_100000210961_100011204187 [0,1,1,0,0,0|1,0,0]=3 1344 B18R2.7339 CCOCCCNCc1nc2ccccc2s1 34a_100000210961_100011217541 [0,1,1,0,0,0|1,0,0]=3 1345 B18R2.7339 CCOCCCOCc1nc2ccccc2s1 34a_100000757476_100011217541 [0,1,1,0,0,0|1,1,0]=4 1346 B18R2.7339 CCOCCCOCc1nc2ccccc2s1 7a_100000757476_100011217541 [0,1,1,0,0,0|1,1,0]=4 1347 B18R2.7339 CCOCCCSCc1nc2ccccc2[nH]1 62a_100012232248_100000737899 [0,1,1,0,0,0|2,0,0]=4 1348 B18R2.7339 CCOCCCSCc1nc2ccccc2o1 62a_100012232248_100000195508 [0,1,1,0,0,0|1,1,0]=4 1349 B18R2.7339 CCOCCCSCc1nc2ccccc2s1 62a_100011217541_100012232248 [0,1,1,0,0,0|1,0,0]=3 1350 B18R2.7339 CCOCCCSCc1nc2ccccc2s1 62a_100012232248_100000766747 [0,1,1,0,0,0|1,0,0]=3 1351 B18R2.7339 CCOCCNN=Cc1cc2ccccc2s1 4a_100000732670_100000686906 [0,1,1,0,0,0|2,0,0]=4 1352 B18R2.7339 CCOCCNN=Cc1nc2ccccc2[nH]1 4a_100000732670_100000185668 [0,1,1,0,0,0|2,0,0]=4 1353 B18R2.7339 CCOCCNN=Cc1nc2ccccc2s1 4a_100000732670_100011204187 [0,1,1,0,0,0|1,0,0]=3 1354 B18R2.7339 ClCCOCCOCc1nc2ccccc2s1 34a_100011215305_100011217541 [0,1,1,0,0,0|2,0,0]=4 1355 B18R2.7339 ClCCOCCOCc1nc2ccccc2s1 7a_100011215305_100011217541 [0,1,1,0,0,0|2,0,0]=4 1356 B18R2.7339 FCCCCCCSc1nc2ccccc2s1 62a_100015922095_100000751744 [0,1,1,0,0,0|2,0,0]=4 1357 B18R2.7339 FCCOCCOCc1nc2ccccc2s1 34a_200015357709_100011217541 [0,1,1,0,0,0|2,0,0]=4 1358 B18R2.7339 FCCOCCOCc1nc2ccccc2s1 7a_200015357709_100011217541 [0,1,1,0,0,0|2,0,0]=4 1359 B18R2.7339 ICCOCCOCc1nc2ccccc2s1 34a_100012149058_100011217541 [0,1,1,0,0,0|2,0,0]=4 1360 B18R2.7339 ICCOCCOCc1nc2ccccc2s1 7a_100012149058_100011217541 [0,1,1,0,0,0|2,0,0]=4 1361 B18R2.7339 NCCOCCOCc1nc2ccccc2s1 34a_100000211614_100011217541 [0,1,1,0,0,0|2,0,0]=4 1362 B18R2.7339 OCCCCCCSc1nc2ccccc2s1 62a_100000766143_100000751744 [0,1,1,0,0,0|2,0,0]=4 1363 B18R2.7339 OCCCCCNCc1nc2ccccc2s1 2230a_100000762737_100000766747 [0,1,1,0,0,0|2,0,0]=4 1364 B18R2.7339 OCCCCCNCc1nc2ccccc2s1 270004a_100000762737_100011204187 [0,1,1,0,0,0|2,0,0]=4 1365 B18R2.7339 OCCCCCNCc1nc2ccccc2s1 34a_100000762737_100011217541 [0,1,1,0,0,0|2,0,0]=4 1366 B18R2.7339 OCCOCCNCc1cc2ccccc2s1 207a_100000211614_100000686906 [0,1,1,0,0,0|2,0,0]=4 1367 B18R2.7339 OCCOCCNCc1cc2ccccc2s1 2230a_100015187092_100011215305 [0,1,1,0,0,0|2,0,0]=4 1368 B18R2.7339 OCCOCCNCc1cc2ccccc2s1 270004a_100000211614_100000686906 [0,1,1,0,0,0|2,0,0]=4 1369 B18R2.7339 OCCOCCNCc1nc2ccccc2[nH]1 207a_100000211614_100000185668 [0,1,1,0,0,0|2,0,0]=4 1370 B18R2.7339 OCCOCCNCc1nc2ccccc2[nH]1 2230a_100000211614_100000737899 [0,1,1,0,0,0|2,0,0]=4 1371 B18R2.7339 OCCOCCNCc1nc2ccccc2[nH]1 270004a_100000211614_100000185668 [0,1,1,0,0,0|2,0,0]=4 1372 B18R2.7339 OCCOCCNCc1nc2ccccc2o1 2230a_100000211614_100000195508 [0,1,1,0,0,0|1,1,0]=4 1373 B18R2.7339 OCCOCCNCc1nc2ccccc2o1 34a_100000211614_200012361514 [0,1,1,0,0,0|1,1,0]=4 1374 B18R2.7339 OCCOCCNCc1nc2ccccc2s1 2230a_100000211614_100000766747 [0,1,1,0,0,0|1,0,0]=3 1375 B18R2.7339 OCCOCCNCc1nc2ccccc2s1 270004a_100000211614_100011204187 [0,1,1,0,0,0|1,0,0]=3 1376 B18R2.7339 OCCOCCNCc1nc2ccccc2s1 34a_100000211614_100011217541 [0,1,1,0,0,0|1,0,0]=3 1377 B18R2.7339 OCCOCCSCc1nc2ccccc2s1 62a_100011215305_100000766747 [0,1,1,0,0,0|2,0,0]=4 1378 B18R2.7339 OCCOCCSCc1nc2ccccc2s1 62a_100011217541_100011215305 [0,1,1,0,0,0|2,0,0]=4 1379 B18R2.7339 OCCSCCNCc1nc2ccccc2s1 2230a_100011219999_100000766747 [0,1,1,0,0,0|1,1,0]=4 1380 B18R2.7339 OCCSCCNCc1nc2ccccc2s1 270004a_100011219999_100011204187 [0,1,1,0,0,0|1,1,0]=4 1381 B18R2.8154 CCOC(=O)CCSc1nc2ccccc2s1 62a_100000765890_100000751744 [0,1,1,0,0,0|1,0,1]=4 1382 B18R2.9335 CCC(C)CCNCc1nc2ccccc2s1 2230a_100020591266_100000766747 [0,1,1,0,0,0|2,0,0]=4 1383 B18R2.9335 CCC(C)CCNCc1nc2ccccc2s1 270004a_100020591266_100011204187 [0,1,1,0,0,0|2,0,0]=4 1384 B18R2.9731 CCCCCCSc1nc2cc(ccc2s1)F 62a_100000210314_200010206605 [0,1,1,0,0,0|2,0,0]=4 1385 B18R2.9731 CCCCCCSc1nc2cc(ccc2s1)F 62a_200010206605_100000210757 [0,1,1,0,0,0|2,0,0]=4 1386 B18R2.9731 CCCCCCSc1nc2cc(ccc2s1)N 62a_100000210314_100010329861 [0,1,1,0,0,0|2,0,0]=4 1387 B18R2.9731 CCCCCCSc1nc2cc(ccc2s1)N 62a_100010329861_100000210757 [0,1,1,0,0,0|2,0,0]=4 1388 B18R2.9731 CCCCCCSc1nc2ccc(cc2s1)C 62a_100000210314_100010186437 [0,1,1,0,0,0|2,0,0]=4 1389 B18R2.9731 CCCCCCSc1nc2ccc(cc2s1)F 62a_100000210314_100000751617 [0,1,1,0,0,0|2,0,0]=4 1390 B18R2.9731 CCCCCCSc1nc2ccc(cc2s1)F 62a_100000751617_100000210757 [0,1,1,0,0,0|2,0,0]=4 1391 B18R2.9731 CCCCCCSc1nc2ccc(cc2s1)N 62a_100000210314_100010253933 [0,1,1,0,0,0|2,0,0]=4 1392 B18R2.9731 CCCCCCSc1nc2ccc(cc2s1)N 62a_100010253933_100000210757 [0,1,1,0,0,0|2,0,0]=4 1393 B18R2.9731 CCCCCCSc1nc2ccc(cc2s1)O 62a_100000210314_100010063415 [0,1,1,0,0,0|2,0,0]=4 1394 B18R2.9731 CCOCCCNc1nc2cc(ccc2s1)F 27a_100000210961_200010206605 [0,1,1,0,0,0|2,0,0]=4 1395 B18R2.9731 CCOCCCNc1nc2cc(ccc2s1)N 27a_100000210961_100010329861 [0,1,1,0,0,0|2,0,0]=4 1396 B18R2.9731 CCOCCCNc1nc2ccc(cc2s1)C 27a_100000210961_100010186437 [0,1,1,0,0,0|2,0,0]=4 1397 B18R2.9731 CCOCCCNc1nc2ccc(cc2s1)F 27a_100000210961_100000751617 [0,1,1,0,0,0|2,0,0]=4 1398 B18R2.9731 CCOCCCNc1nc2ccc(cc2s1)N 27a_100000210961_100010253933 [0,1,1,0,0,0|2,0,0]=4 1399 B18R2.9731 CCOCCCNc1nc2ccc(cc2s1)O 27a_100000210961_100010063415 [0,1,1,0,0,0|2,0,0]=4 1400 B18R2.9731 CCOCCCSc1cc2cc(ccc2s1)Br 62a_100012232248_200010198765 [0,1,1,0,0,0|2,0,0]=4 1401 B18R2.9731 CCOCCCSc1cc2cc(ccc2s1)Br 62a_200010198765_100012232248 [0,1,1,0,0,0|2,0,0]=4 1402 B18R2.9731 CCOCCCSc1nc2cc(ccc2s1)F 62a_100012232248_200010206605 [0,1,1,0,0,0|1,0,0]=3 1403 B18R2.9731 CCOCCCSc1nc2cc(ccc2s1)F 62a_200010206605_100012232248 [0,1,1,0,0,0|1,0,0]=3 1404 B18R2.9731 CCOCCCSc1nc2cc(ccc2s1)N 62a_100010329861_100012232248 [0,1,1,0,0,0|1,0,0]=3 1405 B18R2.9731 CCOCCCSc1nc2cc(ccc2s1)N 62a_100012232248_100010329861 [0,1,1,0,0,0|1,0,0]=3 1406 B18R2.9731 CCOCCCSc1nc2ccc(cc2s1)C 62a_100012232248_100010186437 [0,1,1,0,0,0|1,0,0]=3 1407 B18R2.9731 CCOCCCSc1nc2ccc(cc2s1)F 62a_100000751617_100012232248 [0,1,1,0,0,0|1,0,0]=3 1408 B18R2.9731 CCOCCCSc1nc2ccc(cc2s1)F 62a_100012232248_100000751617 [0,1,1,0,0,0|1,0,0]=3 1409 B18R2.9731 CCOCCCSc1nc2ccc(cc2s1)N 62a_100010253933_100012232248 [0,1,1,0,0,0|1,0,0]=3 1410 B18R2.9731 CCOCCCSc1nc2ccc(cc2s1)N 62a_100012232248_100010253933 [0,1,1,0,0,0|1,0,0]=3 1411 B18R2.9731 CCOCCCSc1nc2ccc(cc2s1)O 62a_100012232248_100010063415 [0,1,1,0,0,0|1,0,0]=3 1412 B18R2.9731 CCOCCCSc1nc2ccc(nc2s1)F 62a_100012232248_200010738066 [0,1,1,0,0,0|2,0,0]=4 1413 B18R2.9731 CCOCCCSc1nc2ccc(nc2s1)F 62a_200010738066_100012232248 [0,1,1,0,0,0|2,0,0]=4 1414 B18R2.9731 CCOCCNCc1cc2cc(ccc2s1)Br 207a_100011200944_100010238522 [0,1,1,0,0,0|2,0,0]=4 1415 B18R2.9731 CCOCCNCc1cc2cc(ccc2s1)Br 270004a_102516460346_100010238522 [0,1,1,0,0,0|2,0,0]=4 1416 B18R2.9731 CCOCCNCc1cc2cc(ccc2s1)C 207a_100011200944_100000050833 [0,1,1,0,0,0|2,0,0]=4 1417 B18R2.9731 CCOCCNCc1cc2cc(ccc2s1)C 270004a_102516460346_100000050833 [0,1,1,0,0,0|2,0,0]=4 1418 B18R2.9731 CCOCCNCc1cc2cc(ccc2s1)Cl 207a_100011200944_200000119088 [0,1,1,0,0,0|2,0,0]=4 1419 B18R2.9731 CCOCCNCc1cc2cc(ccc2s1)Cl 270004a_102516460346_200000119088 [0,1,1,0,0,0|2,0,0]=4 1420 B18R2.9731 CCOCCNCc1cc2ccc(cc2s1)Br 207a_100011200944_100009814784 [0,1,1,0,0,0|2,0,0]=4 1421 B18R2.9731 CCOCCNCc1cc2ccc(cc2s1)Br 270004a_102516460346_100009814784 [0,1,1,0,0,0|2,0,0]=4 1422 B18R2.9731 CCOCCNCc1nc2cc(ccc2[nH]1)Br 2230a_102516460346_100000701424 [0,1,1,0,0,0|2,0,0]=4 1423 B18R2.9731 CCOCCNCc1nc2cc(ccc2[nH]1)Br 34a_102516460346_100000701424 [0,1,1,0,0,0|2,0,0]=4 1424 B18R2.9731 CCOCCNCc1nc2cc(ccc2[nH]1)Cl 2230a_102516460346_100000179801 [0,1,1,0,0,0|2,0,0]=4 1425 B18R2.9731 CCOCCNCc1nc2cc(ccc2[nH]1)F 207a_100011200944_200011915233 [0,1,1,0,0,0|2,0,0]=4 1426 B18R2.9731 CCOCCNCc1nc2cc(ccc2[nH]1)F 270004a_102516460346_200011915233 [0,1,1,0,0,0|2,0,0]=4 1427 B18R2.9731 CCOCCNCc1nc2cc(ccc2o1)Br 2230a_102516460346_100000730559 [0,1,1,0,0,0|1,1,0]=4 1428 B18R2.9731 CCOCCNCc1nc2cc(ccc2o1)Br 34a_102516460346_100000730559 [0,1,1,0,0,0|1,1,0]=4 1429 B18R2.9731 CCOCCNCc1nc2cc(ccc2o1)C 2230a_102516460346_100011374149 [0,1,1,0,0,0|1,1,0]=4 1430 B18R2.9731 CCOCCNCc1nc2cc(ccc2o1)C 34a_102516460346_100011374149 [0,1,1,0,0,0|1,1,0]=4 1431 B18R2.9731 CCOCCNCc1nc2cc(ccc2o1)Cl 2230a_102516460346_100011222916 [0,1,1,0,0,0|1,1,0]=4 1432 B18R2.9731 CCOCCNCc1nc2cc(ccc2o1)F 2230a_102516460346_100000687093 [0,1,1,0,0,0|1,1,0]=4 1433 B18R2.9731 CCOCCNCc1nc2cc(ccc2o1)F 34a_102516460346_100000687093 [0,1,1,0,0,0|1,1,0]=4 1434 B18R2.9731 CCOCCNCc1nc2ccc(cc2[nH]1)Br 207a_100011200944_200011361486 [0,1,1,0,0,0|2,0,0]=4 1435 B18R2.9731 CCOCCNCc1nc2ccc(cc2[nH]1)Br 270004a_102516460346_200011361486 [0,1,1,0,0,0|2,0,0]=4 1436 B18R2.9731 CCOCCNCc1nc2ccc(cc2[nH]1)C 2230a_102516460346_100020603265 [0,1,1,0,0,0|2,0,0]=4 1437 B18R2.9731 CCOCCNCc1nc2ccc(cc2[nH]1)C 34a_102516460346_100020603265 [0,1,1,0,0,0|2,0,0]=4 1438 B18R2.9731 CCOCCNCc1nc2ccc(cc2[nH]1)F 2230a_102516460346_200011347187 [0,1,1,0,0,0|2,0,0]=4 1439 B18R2.9731 CCOCCNCc1nc2ccc(cc2o1)Br 2230a_102516460346_100000729449 [0,1,1,0,0,0|1,1,0]=4 1440 B18R2.9731 CCOCCNCc1nc2ccc(cc2o1)Br 34a_102516460346_100000729449 [0,1,1,0,0,0|1,1,0]=4 1441 B18R2.9731 CCOCCNCc1nc2ccc(cc2o1)C 2230a_102516460346_100011295139 [0,1,1,0,0,0|1,1,0]=4 1442 B18R2.9731 CCOCCNCc1nc2ccc(cc2o1)C 34a_102516460346_100011295139 [0,1,1,0,0,0|1,1,0]=4 1443 B18R2.9731 CCOCCNCc1nc2ccc(cc2o1)F 2230a_102516460346_100000687025 [0,1,1,0,0,0|1,1,0]=4 1444 B18R2.9731 CCOCCNCc1nc2ccc(cc2o1)F 34a_102516460346_100000687025 [0,1,1,0,0,0|1,1,0]=4 1445 B18R2.9736 CCCCCCSc1nc2c(cccc2s1)C 62a_100000210314_100010008827 [0,1,1,0,0,0|2,0,0]=4 1446 B18R2.9736 CCCCCCSc1nc2c(cccc2s1)F 62a_100000210314_100010008856 [0,1,1,0,0,0|2,0,0]=4 1447 B18R2.9736 CCOCCCNc1nc2c(cccc2s1)C 27a_100000210961_100010008827 [0,1,1,0,0,0|2,0,0]=4 1448 B18R2.9736 CCOCCCNc1nc2c(cccc2s1)F 27a_100000210961_100010008856 [0,1,1,0,0,0|2,0,0]=4 1449 B18R2.9736 CCOCCCSc1nc2c(cccc2s1)C 62a_100012232248_100010008827 [0,1,1,0,0,0|1,0,0]=3 1450 B18R2.9736 CCOCCCSc1nc2c(cccc2s1)F 62a_100012232248_100010008856 [0,1,1,0,0,0|1,0,0]=3 1451 B18R2.9736 CCOCCNCc1cc2c(cccc2s1)Br 207a_100011200944_100010109917 [0,1,1,0,0,0|2,0,0]=4 1452 B18R2.9736 CCOCCNCc1cc2c(cccc2s1)Br 270004a_102516460346_100010109917 [0,1,1,0,0,0|2,0,0]=4 1453 B18R2.9736 CCOCCNCc1cc2c(cccc2s1)Cl 207a_100011200944_100000117544 [0,1,1,0,0,0|2,0,0]=4 1454 B18R2.9736 CCOCCNCc1cc2c(cccc2s1)Cl 270004a_102516460346_100000117544 [0,1,1,0,0,0|2,0,0]=4 1455 B18R2.9736 CCOCCNCc1cc2cccc(c2s1)Br 207a_100011200944_100010110135 [0,1,1,0,0,0|2,0,0]=4 1456 B18R2.9736 CCOCCNCc1cc2cccc(c2s1)Br 270004a_102516460346_100010110135 [0,1,1,0,0,0|2,0,0]=4 1457 B18R2.9736 CCOCCNCc1nc2c(cccc2o1)C 2230a_102516460346_100011397728 [0,1,1,0,0,0|1,1,0]=4 1458 B18R2.9736 CCOCCNCc1nc2c(cccc2o1)C 34a_102516460346_100011397728 [0,1,1,0,0,0|1,1,0]=4 1459 B18R2.14794 CCCCCNC(C)c1nc2ccccc2s1 2230a_100000213967_100000210326 [0,1,1,0,0,0|2,0,0]=4 1460 B18R2.14794 CCOCCNC(C)c1cc2ccccc2s1 269862a_100011200944_100011216072 [0,1,1,0,0,0|2,0,0]=4 1461 B18R2.14794 CCOCCNC(C)c1nc2ccccc2[nH]1 270004a_102516460346_100000199114 [0,1,1,0,0,0|2,0,0]=4 1462 B18R2.14794 CCOCCNC(C)c1nc2ccccc2s1 2230a_100000213967_100011215890 [0,1,1,0,0,0|1,0,0]=3 1463 B18R2.14794 CCOCCN[C@@H](C)c1nc2ccccc2[nH]1 2230a_100015206438_100011215890 [0,1,1,0,0,0|2,0,0]=4 1464 B18R2.14794 CCSCCNC(C)c1nc2ccccc2s1 2230a_100000213967_100000757381 [0,1,1,0,0,0|1,1,0]=4 1465 B18R2.4153 CCN(CCO)Cc1nc2ccccc2n1C 2230a_100000210973_100000748711 [0,1,1,0,0,0|2,0,0]=4 1466 B18R2.4153 CCN(CCO)Cc1nc2ccccc2n1C 269982a_100000210973_100000748711 [0,1,1,0,0,0|2,0,0]=4 1467 B18R2.4153 CCN(CCO)Cc1nc2ccccc2n1C 270004a_100000210973_100000188960 [0,1,1,0,0,0|2,0,0]=4 1468 B18R2.4153 CCN(CCO)Cc1sc2ccccc2c1C 270004a_100000210973_100000038699 [0,1,1,0,0,0|2,0,0]=4 1469 B18R2.4153 CCN(CCO)Cc1sc2ccccc2c1Cl 2230a_100000210973_100000021718 [0,1,1,0,0,0|2,0,0]=4 1470 B18R2.4153 CCN(CCO)Cc1sc2ccccc2c1Cl 269982a_100000210973_100000021718 [0,1,1,0,0,0|2,0,0]=4 1471 B18R2.4153 CCN(CCO)Cc1sc2ccccc2c1Cl 270004a_100000210973_100000017830 [0,1,1,0,0,0|2,0,0]=4 1472 B18R2.75402 CCN(CCO)C(C)c1nc2ccccc2[nH]1 270004a_100000210973_100000199114 [0,1,1,0,0,0|2,0,0]=4 1473 B18R2.77476 CC(C)C(CCO)Nc1nc2ccccc2s1 27a_100161115045_100000751744 [0,1,1,0,0,0|2,0,0]=4 1474 B18R2.77476 CC(C)N(CCO)Cc1cc2ccccc2s1 270004a_100000224655_100000686906 [0,1,1,0,0,0|2,0,0]=4 1475 B18R2.77476 CC(C)N(CCO)Cc1nc2ccccc2[nH]1 2230a_100000224655_100000737899 [0,1,1,0,0,0|2,0,0]=4 1476 B18R2.77476 CC(C)N(CCO)Cc1nc2ccccc2[nH]1 269982a_100000224655_100000737899 [0,1,1,0,0,0|2,0,0]=4 1477 B18R2.77476 CC(C)N(CCO)Cc1nc2ccccc2[nH]1 270004a_100000224655_100000185668 [0,1,1,0,0,0|2,0,0]=4 1478 B18R2.77476 CC(C)N(CCO)Cc1nc2ccccc2o1 2230a_100000224655_100000195508 [0,1,1,0,0,0|1,1,0]=4 1479 B18R2.77476 CC(C)N(CCO)Cc1nc2ccccc2s1 2230a_100000224655_100000766747 [0,1,1,0,0,0|1,0,0]=3 1480 B18R2.77476 CC(C)N(CCO)Cc1nc2ccccc2s1 269982a_100000224655_100011217541 [0,1,1,0,0,0|1,0,0]=3 1481 B18R2.77476 CC(C)N(CCO)Cc1nc2ccccc2s1 270004a_100000224655_100011204187 [0,1,1,0,0,0|1,0,0]=3 1482 B18R2.77476 CCCN(Cc1nc2ccccc2s1)C(C)C 2230a_106256033942_100000766747 [0,1,1,0,0,0|2,0,0]=4 1483 B18R2.77476 CCCN(Cc1nc2ccccc2s1)C(C)C 269982a_106256033942_100011217541 [0,1,1,0,0,0|2,0,0]=4 1484 B18R2.77476 CCCN(Cc1nc2ccccc2s1)C(C)C 270004a_106256033942_100011204187 [0,1,1,0,0,0|2,0,0]=4 1485 B18R2.77516 CCCC(CCC)Sc1nc2ccccc2s1 62a_200011218217_100000751744 [0,1,1,0,0,0|2,0,0]=4 1486 B18R2.77516 CCCN(CCC)Cc1nc2ccccc2s1 2230a_100000210455_100000766747 [0,1,1,0,0,0|2,0,0]=4 1487 B18R2.77516 CCCN(CCC)Cc1nc2ccccc2s1 269982a_100000210455_100011217541 [0,1,1,0,0,0|2,0,0]=4 1488 B18R2.77516 CCCN(CCC)Cc1nc2ccccc2s1 270004a_100000210455_100011204187 [0,1,1,0,0,0|2,0,0]=4 1489 B18R2.77516 CCCN(CCO)Cc1cc2ccccc2s1 270004a_100000211420_100000686906 [0,1,1,0,0,0|2,0,0]=4 1490 B18R2.77516 CCCN(CCO)Cc1nc2ccccc2[nH]1 2230a_100000211420_100000737899 [0,1,1,0,0,0|2,0,0]=4 1491 B18R2.77516 CCCN(CCO)Cc1nc2ccccc2[nH]1 269982a_100000211420_100000737899 [0,1,1,0,0,0|2,0,0]=4 1492 B18R2.77516 CCCN(CCO)Cc1nc2ccccc2[nH]1 270004a_100000211420_100000185668 [0,1,1,0,0,0|2,0,0]=4 1493 B18R2.77516 CCCN(CCO)Cc1nc2ccccc2o1 2230a_100000211420_100000195508 [0,1,1,0,0,0|1,1,0]=4 1494 B18R2.77516 CCCN(CCO)Cc1nc2ccccc2s1 2230a_100000211420_100000766747 [0,1,1,0,0,0|1,0,0]=3 1495 B18R2.77516 CCCN(CCO)Cc1nc2ccccc2s1 269982a_100000211420_100011217541 [0,1,1,0,0,0|1,0,0]=3 1496 B18R2.77516 CCCN(CCO)Cc1nc2ccccc2s1 270004a_100000211420_100011204187 [0,1,1,0,0,0|1,0,0]=3 1497 B18R2.77516 CCC[C@@H](CCO)Nc1nc2ccccc2s1 27a_100015193777_100000751744 [0,1,1,0,0,0|2,0,0]=4 1498 B18R2.77516 OCCN(CCO)Cc1cc2ccccc2s1 270004a_100000210587_100000686906 [0,1,1,0,0,0|2,0,0]=4 1499 B18R2.77516 OCCN(CCO)Cc1nc2ccccc2[nH]1 2230a_100000210587_100000737899 [0,1,1,0,0,0|2,0,0]=4 1500 B18R2.77516 OCCN(CCO)Cc1nc2ccccc2[nH]1 269982a_100000210587_100000737899 [0,1,1,0,0,0|2,0,0]=4 1501 B18R2.77516 OCCN(CCO)Cc1nc2ccccc2[nH]1 270004a_100000210587_100000185668 [0,1,1,0,0,0|2,0,0]=4 1502 B18R2.77516 OCCN(CCO)Cc1nc2ccccc2o1 2230a_100000210587_100000195508 [0,1,1,0,0,0|1,1,0]=4 1503 B18R2.77516 OCCN(CCO)Cc1nc2ccccc2s1 2230a_100000210587_100000766747 [0,1,1,0,0,0|1,0,0]=3 1504 B18R2.77516 OCCN(CCO)Cc1nc2ccccc2s1 269982a_100000210587_100011217541 [0,1,1,0,0,0|1,0,0]=3 1505 B18R2.77516 OCCN(CCO)Cc1nc2ccccc2s1 270004a_100000210587_100011204187 [0,1,1,0,0,0|1,0,0]=3 1506 B18R2.77742 CCCC(C)(CC)Sc1nc2ccccc2s1 62a_200000040151_100000751744 [0,1,1,0,0,0|2,0,0]=4 1507 B18R2.95416 CCC(C)N(CC)Cc1nc2ccccc2s1 2230a_100000732650_100000766747 [0,1,1,0,0,0|2,0,0]=4 1508 B18R2.95416 CCC(C)N(CC)Cc1nc2ccccc2s1 269982a_100000732650_100011217541 [0,1,1,0,0,0|2,0,0]=4 1509 B18R2.95416 CCC(C)N(CC)Cc1nc2ccccc2s1 270004a_100000732650_100011204187 [0,1,1,0,0,0|2,0,0]=4 1510 B18R2.95416 CCN(Cc1cc2ccccc2s1)C(C)CO 270004a_100000731049_100000686906 [0,1,1,0,0,0|2,0,0]=4 1511 B18R2.95416 CCN(Cc1nc2ccccc2[nH]1)C(C)CO 2230a_100000731049_100000737899 [0,1,1,0,0,0|2,0,0]=4 1512 B18R2.95416 CCN(Cc1nc2ccccc2[nH]1)C(C)CO 269982a_100000731049_100000737899 [0,1,1,0,0,0|2,0,0]=4 1513 B18R2.95416 CCN(Cc1nc2ccccc2[nH]1)C(C)CO 270004a_100000731049_100000185668 [0,1,1,0,0,0|2,0,0]=4 1514 B18R2.95416 CCN(Cc1nc2ccccc2o1)C(C)CO 2230a_100000731049_100000195508 [0,1,1,0,0,0|1,1,0]=4 1515 B18R2.95416 CCN(Cc1nc2ccccc2s1)C(C)CO 2230a_100000731049_100000766747 [0,1,1,0,0,0|1,0,0]=3 1516 B18R2.95416 CCN(Cc1nc2ccccc2s1)C(C)CO 269982a_100000731049_100011217541 [0,1,1,0,0,0|1,0,0]=3 1517 B18R2.95416 CCN(Cc1nc2ccccc2s1)C(C)CO 270004a_100000731049_100011204187 [0,1,1,0,0,0|1,0,0]=3 1518 B18R2.125203 CCCC(CC)Sc1nc2cc(ccc2s1)F 62a_100011219200_200010206605 [0,1,1,0,0,0|2,0,0]=4 1519 B18R2.125203 CCCC(CC)Sc1nc2cc(ccc2s1)F 62a_200010206605_100011219200 [0,1,1,0,0,0|2,0,0]=4 1520 B18R2.125203 CCCC(CC)Sc1nc2cc(ccc2s1)N 62a_100010329861_100011219200 [0,1,1,0,0,0|2,0,0]=4 1521 B18R2.125203 CCCC(CC)Sc1nc2cc(ccc2s1)N 62a_100011219200_100010329861 [0,1,1,0,0,0|2,0,0]=4 1522 B18R2.125203 CCCC(CC)Sc1nc2ccc(cc2s1)C 62a_100011219200_100010186437 [0,1,1,0,0,0|2,0,0]=4 1523 B18R2.125203 CCCC(CC)Sc1nc2ccc(cc2s1)F 62a_100000751617_100011219200 [0,1,1,0,0,0|2,0,0]=4 1524 B18R2.125203 CCCC(CC)Sc1nc2ccc(cc2s1)F 62a_100011219200_100000751617 [0,1,1,0,0,0|2,0,0]=4 1525 B18R2.125203 CCCC(CC)Sc1nc2ccc(cc2s1)N 62a_100010253933_100011219200 [0,1,1,0,0,0|2,0,0]=4 1526 B18R2.125203 CCCC(CC)Sc1nc2ccc(cc2s1)N 62a_100011219200_100010253933 [0,1,1,0,0,0|2,0,0]=4 1527 B18R2.125203 CCCC(CC)Sc1nc2ccc(cc2s1)O 62a_100011219200_100010063415 [0,1,1,0,0,0|2,0,0]=4 1528 B18R2.125203 CCN(CCO)Cc1cc2cc(ccc2s1)Br 270004a_100000210973_100010238522 [0,1,1,0,0,0|2,0,0]=4 1529 B18R2.125203 CCN(CCO)Cc1cc2cc(ccc2s1)C 270004a_100000210973_100000050833 [0,1,1,0,0,0|2,0,0]=4 1530 B18R2.125203 CCN(CCO)Cc1cc2cc(ccc2s1)Cl 270004a_100000210973_200000119088 [0,1,1,0,0,0|2,0,0]=4 1531 B18R2.125203 CCN(CCO)Cc1cc2ccc(cc2s1)Br 270004a_100000210973_100009814784 [0,1,1,0,0,0|2,0,0]=4 1532 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2[nH]1)Br 2230a_100000210973_100000701424 [0,1,1,0,0,0|2,0,0]=4 1533 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2[nH]1)Br 269982a_100000210973_100000701424 [0,1,1,0,0,0|2,0,0]=4 1534 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2[nH]1)Cl 2230a_100000210973_100000179801 [0,1,1,0,0,0|2,0,0]=4 1535 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2[nH]1)Cl 269982a_100000210973_100000179801 [0,1,1,0,0,0|2,0,0]=4 1536 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2[nH]1)F 270004a_100000210973_200011915233 [0,1,1,0,0,0|2,0,0]=4 1537 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2o1)Br 2230a_100000210973_100000730559 [0,1,1,0,0,0|1,1,0]=4 1538 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2o1)C 2230a_100000210973_100011374149 [0,1,1,0,0,0|1,1,0]=4 1539 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2o1)C 269982a_100000210973_100011374149 [0,1,1,0,0,0|1,1,0]=4 1540 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2o1)Cl 2230a_100000210973_100011222916 [0,1,1,0,0,0|1,1,0]=4 1541 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2o1)Cl 269982a_100000210973_100011222916 [0,1,1,0,0,0|1,1,0]=4 1542 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2o1)F 2230a_100000210973_100000687093 [0,1,1,0,0,0|1,1,0]=4 1543 B18R2.125203 CCN(CCO)Cc1nc2cc(ccc2o1)F 269982a_100000210973_100000687093 [0,1,1,0,0,0|1,1,0]=4 1544 B18R2.125203 CCN(CCO)Cc1nc2ccc(cc2[nH]1)Br 270004a_100000210973_200011361486 [0,1,1,0,0,0|2,0,0]=4 1545 B18R2.125203 CCN(CCO)Cc1nc2ccc(cc2[nH]1)C 2230a_100000210973_100020603265 [0,1,1,0,0,0|2,0,0]=4 1546 B18R2.125203 CCN(CCO)Cc1nc2ccc(cc2[nH]1)C 269982a_100000210973_100020603265 [0,1,1,0,0,0|2,0,0]=4 1547 B18R2.125203 CCN(CCO)Cc1nc2ccc(cc2[nH]1)F 2230a_100000210973_200011347187 [0,1,1,0,0,0|2,0,0]=4 1548 B18R2.125203 CCN(CCO)Cc1nc2ccc(cc2[nH]1)F 269982a_100000210973_200011347187 [0,1,1,0,0,0|2,0,0]=4 1549 B18R2.125203 CCN(CCO)Cc1nc2ccc(cc2o1)Br 2230a_100000210973_100000729449 [0,1,1,0,0,0|1,1,0]=4 1550 B18R2.125203 CCN(CCO)Cc1nc2ccc(cc2o1)C 2230a_100000210973_100011295139 [0,1,1,0,0,0|1,1,0]=4 1551 B18R2.125203 CCN(CCO)Cc1nc2ccc(cc2o1)C 269982a_100000210973_100011295139 [0,1,1,0,0,0|1,1,0]=4 1552 B18R2.125203 CCN(CCO)Cc1nc2ccc(cc2o1)F 2230a_100000210973_100000687025 [0,1,1,0,0,0|1,1,0]=4 1553 B18R2.125203 CCN(CCO)Cc1nc2ccc(cc2o1)F 269982a_100000210973_100000687025 [0,1,1,0,0,0|1,1,0]=4 1554 B18R2.125208 CCCC(CC)Sc1nc2c(cccc2s1)C 62a_100011219200_100010008827 [0,1,1,0,0,0|2,0,0]=4 1555 B18R2.125208 CCCC(CC)Sc1nc2c(cccc2s1)F 62a_100011219200_100010008856 [0,1,1,0,0,0|2,0,0]=4 1556 B18R2.125208 CCN(CCO)Cc1cc2c(cccc2s1)Br 270004a_100000210973_100010109917 [0,1,1,0,0,0|2,0,0]=4 1557 B18R2.125208 CCN(CCO)Cc1cc2c(cccc2s1)Cl 270004a_100000210973_100000117544 [0,1,1,0,0,0|2,0,0]=4 1558 B18R2.125208 CCN(CCO)Cc1cc2cccc(c2s1)Br 270004a_100000210973_100010110135 [0,1,1,0,0,0|2,0,0]=4 1559 B18R2.125208 CCN(CCO)Cc1nc2c(cccc2o1)C 2230a_100000210973_100011397728 [0,1,1,0,0,0|1,1,0]=4 1560 B18R2.125208 CCN(CCO)Cc1nc2c(cccc2o1)C 269982a_100000210973_100011397728 [0,1,1,0,0,0|1,1,0]=4 1561 B18R2.126993 CCN(Cc1cc2ccccc2s1)C[C@H](C)O 270004a_100000729506_100000686906 [0,1,1,0,0,0|2,0,0]=4 1562 B18R2.126993 CCN(Cc1nc2ccccc2[nH]1)C[C@H](C)O 2230a_100000729506_100000737899 [0,1,1,0,0,0|2,0,0]=4 1563 B18R2.126993 CCN(Cc1nc2ccccc2[nH]1)C[C@H](C)O 269982a_100000729506_100000737899 [0,1,1,0,0,0|2,0,0]=4 1564 B18R2.126993 CCN(Cc1nc2ccccc2[nH]1)C[C@H](C)O 270004a_100000729506_100000185668 [0,1,1,0,0,0|2,0,0]=4 1565 B18R2.126993 CCN(Cc1nc2ccccc2o1)C[C@H](C)O 2230a_100000729506_100000195508 [0,1,1,0,0,0|1,1,0]=4 1566 B18R2.126993 CCN(Cc1nc2ccccc2s1)CC(C)C 2230a_100000738554_100000766747 [0,1,1,0,0,0|2,0,0]=4 1567 B18R2.126993 CCN(Cc1nc2ccccc2s1)CC(C)C 269982a_100000738554_100011217541 [0,1,1,0,0,0|2,0,0]=4 1568 B18R2.126993 CCN(Cc1nc2ccccc2s1)CC(C)C 270004a_100000738554_100011204187 [0,1,1,0,0,0|2,0,0]=4 1569 B18R2.126993 CCN(Cc1nc2ccccc2s1)C[C@H](C)O 2230a_100000729506_100000766747 [0,1,1,0,0,0|1,0,0]=3 1570 B18R2.126993 CCN(Cc1nc2ccccc2s1)C[C@H](C)O 269982a_100000729506_100011217541 [0,1,1,0,0,0|1,0,0]=3 1571 B18R2.126993 CCN(Cc1nc2ccccc2s1)C[C@H](C)O 270004a_100000729506_100011204187 [0,1,1,0,0,0|1,0,0]=3 1572 B18R3.112 Brc1c(sc2c1cccc2)SC3CCCC3 62a_100011217020_100015504031 [0,1,0,0,1,0|2,0,0]=4 1573 B18R3.112 Brc1c(sc2c1cccc2)SC3CCCC3 62a_100015504031_100000179811 [0,1,0,0,1,0|2,0,0]=4 1574 B18R3.112 Brc1c(sc2c1cccc2)SC3CCOC3 62a_100015504031_100000690089 [0,1,0,0,1,0|2,0,0]=4 1575 B18R3.112 Cc1c(sc2c1cccc2)CN3CCCC3 270004a_100000188435_100000038699 [0,1,0,0,1,0|2,0,0]=4 1576 B18R3.112 Cc1c(sc2c1cccc2)SC3CCCC3 62a_100011217020_200010198769 [0,1,0,0,1,0|2,0,0]=4 1577 B18R3.112 Clc1c(sc2c1cccc2)CN3CCCC3 2230a_100000188435_100000021718 [0,1,0,0,1,0|2,0,0]=4 1578 B18R3.112 Clc1c(sc2c1cccc2)CN3CCCC3 269982a_100000188435_100000021718 [0,1,0,0,1,0|2,0,0]=4 1579 B18R3.112 Clc1c(sc2c1cccc2)CN3CCCC3 270004a_100000188435_100000017830 [0,1,0,0,1,0|2,0,0]=4 1580 B18R3.112 Cn1c(nc2c1cccc2)CN3CCCC3 2230a_100000188435_100000748711 [0,1,0,0,1,0|2,0,0]=4 1581 B18R3.112 Cn1c(nc2c1cccc2)CN3CCCC3 269982a_100000188435_100000748711 [0,1,0,0,1,0|2,0,0]=4 1582 B18R3.112 Cn1c(nc2c1cccc2)CN3CCCC3 270004a_100000188435_100000188960 [0,1,0,0,1,0|2,0,0]=4 1583 B18R3.112 Cn1c(nc2c1cccc2)SC3CCCC3 62a_100011217020_200000239431 [0,1,0,0,1,0|2,0,0]=4 1584 B18R3.112 Cn1c(nc2c1cccc2)SC3CCCC3 62a_200000239431_100000179811 [0,1,0,0,1,0|2,0,0]=4 1585 B18R3.112 Cn1c(nc2c1cccc2)SC3CCOC3 62a_200000239431_100000690089 [0,1,0,0,1,0|2,0,0]=4 1586 B18R3.30587 C[C@@H]1CCN(C1)Cc2cc3ccccc3s2 270004a_100016987628_100000686906 [0,1,0,0,1,0|2,0,0]=4 1587 B18R3.30587 C[C@@H]1CCN(C1)Cc2nc3ccccc3[nH]2 2230a_100016987628_100000737899 [0,1,0,0,1,0|2,0,0]=4 1588 B18R3.30587 C[C@@H]1CCN(C1)Cc2nc3ccccc3[nH]2 269982a_100016987628_100000737899 [0,1,0,0,1,0|2,0,0]=4 1589 B18R3.30587 C[C@@H]1CCN(C1)Cc2nc3ccccc3[nH]2 270004a_100016987628_100000185668 [0,1,0,0,1,0|2,0,0]=4 1590 B18R3.30587 C[C@@H]1CCN(C1)Cc2nc3ccccc3o2 2230a_100016987628_100000195508 [0,1,0,0,1,0|1,1,0]=4 1591 B18R3.30587 C[C@@H]1CCN(C1)Cc2nc3ccccc3o2 34a_100016987628_200012361514 [0,1,0,0,1,0|1,1,0]=4 1592 B18R3.30587 C[C@@H]1CCN(C1)Cc2nc3ccccc3s2 2230a_100016987628_100000766747 [0,1,0,0,1,0|1,0,0]=3 1593 B18R3.30587 C[C@@H]1CCN(C1)Cc2nc3ccccc3s2 269982a_100016987628_100011217541 [0,1,0,0,1,0|1,0,0]=3 1594 B18R3.30587 C[C@@H]1CCN(C1)Cc2nc3ccccc3s2 270004a_100016987628_100011204187 [0,1,0,0,1,0|1,0,0]=3 1595 B18R3.30587 C[C@@H]1CCN(C1)Cc2nc3ccccc3s2 34a_100016987628_100011217541 [0,1,0,0,1,0|1,0,0]=3 1596 B18R3.30587 F[C@H]1CCN(C1)Cc2cc3ccccc3s2 270004a_100015203821_100000686906 [0,1,0,0,1,0|2,0,0]=4 1597 B18R3.30587 F[C@H]1CCN(C1)Cc2nc3ccccc3[nH]2 2230a_100015203821_100000737899 [0,1,0,0,1,0|2,0,0]=4 1598 B18R3.30587 F[C@H]1CCN(C1)Cc2nc3ccccc3[nH]2 269982a_100015203821_100000737899 [0,1,0,0,1,0|2,0,0]=4 1599 B18R3.30587 F[C@H]1CCN(C1)Cc2nc3ccccc3[nH]2 270004a_100015203821_100000185668 [0,1,0,0,1,0|2,0,0]=4 1600 B18R3.30587 F[C@H]1CCN(C1)Cc2nc3ccccc3o2 2230a_100015203821_100000195508 [0,1,0,0,1,0|1,1,0]=4 1601 B18R3.30587 F[C@H]1CCN(C1)Cc2nc3ccccc3o2 34a_100015203821_200012361514 [0,1,0,0,1,0|1,1,0]=4 1602 B18R3.30587 F[C@H]1CCN(C1)Cc2nc3ccccc3s2 2230a_100015203821_100000766747 [0,1,0,0,1,0|1,0,0]=3 1603 B18R3.30587 F[C@H]1CCN(C1)Cc2nc3ccccc3s2 269982a_100015203821_100011217541 [0,1,0,0,1,0|1,0,0]=3 1604 B18R3.30587 F[C@H]1CCN(C1)Cc2nc3ccccc3s2 270004a_100015203821_100011204187 [0,1,0,0,1,0|1,0,0]=3 1605 B18R3.30587 F[C@H]1CCN(C1)Cc2nc3ccccc3s2 34a_100015203821_100011217541 [0,1,0,0,1,0|1,0,0]=3 1606 B18R3.30587 OC1CCN(C1)Cc2cc3ccccc3s2 270004a_100011215560_100000686906 [0,1,0,0,1,0|2,0,0]=4 1607 B18R3.30587 OC1CCN(C1)Cc2nc3ccccc3[nH]2 2230a_100011215560_100000737899 [0,1,0,0,1,0|2,0,0]=4 1608 B18R3.30587 OC1CCN(C1)Cc2nc3ccccc3[nH]2 269982a_100011215560_100000737899 [0,1,0,0,1,0|2,0,0]=4 1609 B18R3.30587 OC1CCN(C1)Cc2nc3ccccc3[nH]2 270004a_100011215560_100000185668 [0,1,0,0,1,0|2,0,0]=4 1610 B18R3.30587 OC1CCN(C1)Cc2nc3ccccc3o2 2230a_100011215560_100000195508 [0,1,0,0,1,0|1,1,0]=4 1611 B18R3.30587 OC1CCN(C1)Cc2nc3ccccc3s2 2230a_100011215560_100000766747 [0,1,0,0,1,0|1,0,0]=3 1612 B18R3.30587 OC1CCN(C1)Cc2nc3ccccc3s2 269982a_100011215560_100011217541 [0,1,0,0,1,0|1,0,0]=3 1613 B18R3.30587 OC1CCN(C1)Cc2nc3ccccc3s2 270004a_100011215560_100011204187 [0,1,0,0,1,0|1,0,0]=3 1614 B18R3.30587 O[C@@H]1CC[C@@H](C1)Nc2nc3ccccc3s2 27a_100015195300_100000751744 [0,1,0,0,1,0|2,0,0]=4 1615 B18R3.32726 Brc1ccc2[nH]c(nc2c1)CN3CCCC3 2230a_100000188435_100000701424 [0,1,0,0,1,0|2,0,0]=4 1616 B18R3.32726 Brc1ccc2[nH]c(nc2c1)CN3CCCC3 269982a_100000188435_100000701424 [0,1,0,0,1,0|2,0,0]=4 1617 B18R3.32726 Brc1ccc2cc(sc2c1)CN3CCCC3 270004a_100000188435_100009814784 [0,1,0,0,1,0|2,0,0]=4 1618 B18R3.32726 Brc1ccc2nc([nH]c2c1)CN3CCCC3 270004a_100000188435_200011361486 [0,1,0,0,1,0|2,0,0]=4 1619 B18R3.32726 Brc1ccc2nc(oc2c1)CN3CCCC3 2230a_100000188435_100000729449 [0,1,0,0,1,0|1,1,0]=4 1620 B18R3.32726 Brc1ccc2oc(nc2c1)CN3CCCC3 2230a_100000188435_100000730559 [0,1,0,0,1,0|1,1,0]=4 1621 B18R3.32726 Brc1ccc2sc(cc2c1)CN3CCCC3 270004a_100000188435_100010238522 [0,1,0,0,1,0|2,0,0]=4 1622 B18R3.32726 Brc1ccc2sc(cc2c1)SC3CCCC3 62a_100011217020_200010198765 [0,1,0,0,1,0|2,0,0]=4 1623 B18R3.32726 Brc1ccc2sc(cc2c1)SC3CCCC3 62a_200010198765_100000179811 [0,1,0,0,1,0|2,0,0]=4 1624 B18R3.32726 Brc1ccc2sc(cc2c1)SC3CCOC3 62a_200010198765_100000690089 [0,1,0,0,1,0|2,0,0]=4 1625 B18R3.32726 Cc1ccc2nc([nH]c2c1)CN3CCCC3 2230a_100000188435_100020603265 [0,1,0,0,1,0|2,0,0]=4 1626 B18R3.32726 Cc1ccc2nc([nH]c2c1)CN3CCCC3 269982a_100000188435_100020603265 [0,1,0,0,1,0|2,0,0]=4 1627 B18R3.32726 Cc1ccc2nc(oc2c1)CN3CCCC3 2230a_100000188435_100011295139 [0,1,0,0,1,0|1,1,0]=4 1628 B18R3.32726 Cc1ccc2nc(oc2c1)CN3CCCC3 269982a_100000188435_100011295139 [0,1,0,0,1,0|1,1,0]=4 1629 B18R3.32726 Cc1ccc2nc(sc2c1)C=C3CCCC3 271570a_100010378317_100010186437 [0,1,0,0,1,0|2,0,0]=4 1630 B18R3.32726 Cc1ccc2nc(sc2c1)NC3CCCC3 27a_100000211070_100010186437 [0,1,0,0,1,0|2,0,0]=4 1631 B18R3.32726 Cc1ccc2nc(sc2c1)N[C@@H]3CCOC3 27a_200015188469_100010186437 [0,1,0,0,1,0|2,0,0]=4 1632 B18R3.32726 Cc1ccc2nc(sc2c1)N[C@H]3CCOC3 27a_100015188467_100010186437 [0,1,0,0,1,0|2,0,0]=4 1633 B18R3.32726 Cc1ccc2nc(sc2c1)SC3CCCC3 62a_100011217020_100010186437 [0,1,0,0,1,0|1,0,0]=3 1634 B18R3.32726 Cc1ccc2oc(nc2c1)CN3CCCC3 2230a_100000188435_100011374149 [0,1,0,0,1,0|1,1,0]=4 1635 B18R3.32726 Cc1ccc2oc(nc2c1)CN3CCCC3 269982a_100000188435_100011374149 [0,1,0,0,1,0|1,1,0]=4 1636 B18R3.32726 Cc1ccc2sc(cc2c1)CN3CCCC3 270004a_100000188435_100000050833 [0,1,0,0,1,0|2,0,0]=4 1637 B18R3.32726 Clc1ccc2[nH]c(nc2c1)CN3CCCC3 2230a_100000188435_100000179801 [0,1,0,0,1,0|2,0,0]=4 1638 B18R3.32726 Clc1ccc2[nH]c(nc2c1)CN3CCCC3 269982a_100000188435_100000179801 [0,1,0,0,1,0|2,0,0]=4 1639 B18R3.32726 Clc1ccc2oc(nc2c1)CN3CCCC3 2230a_100000188435_100011222916 [0,1,0,0,1,0|1,1,0]=4 1640 B18R3.32726 Clc1ccc2oc(nc2c1)CN3CCCC3 269982a_100000188435_100011222916 [0,1,0,0,1,0|1,1,0]=4 1641 B18R3.32726 Clc1ccc2sc(cc2c1)CN3CCCC3 270004a_100000188435_200000119088 [0,1,0,0,1,0|2,0,0]=4 1642 B18R3.32726 Fc1ccc2[nH]c(nc2c1)CN3CCCC3 270004a_100000188435_200011915233 [0,1,0,0,1,0|2,0,0]=4 1643 B18R3.32726 Fc1ccc2nc([nH]c2c1)CN3CCCC3 2230a_100000188435_200011347187 [0,1,0,0,1,0|2,0,0]=4 1644 B18R3.32726 Fc1ccc2nc([nH]c2c1)CN3CCCC3 269982a_100000188435_200011347187 [0,1,0,0,1,0|2,0,0]=4 1645 B18R3.32726 Fc1ccc2nc(oc2c1)CN3CCCC3 2230a_100000188435_100000687025 [0,1,0,0,1,0|1,1,0]=4 1646 B18R3.32726 Fc1ccc2nc(oc2c1)CN3CCCC3 269982a_100000188435_100000687025 [0,1,0,0,1,0|1,1,0]=4 1647 B18R3.32726 Fc1ccc2nc(sc2c1)C=C3CCCC3 271570a_100010378317_100000751617 [0,1,0,0,1,0|2,0,0]=4 1648 B18R3.32726 Fc1ccc2nc(sc2c1)NC3CCCC3 27a_100000211070_100000751617 [0,1,0,0,1,0|2,0,0]=4 1649 B18R3.32726 Fc1ccc2nc(sc2c1)N[C@@H]3CCOC3 27a_200015188469_100000751617 [0,1,0,0,1,0|2,0,0]=4 1650 B18R3.32726 Fc1ccc2nc(sc2c1)N[C@H]3CCOC3 27a_100015188467_100000751617 [0,1,0,0,1,0|2,0,0]=4 1651 B18R3.32726 Fc1ccc2nc(sc2c1)SC3CCCC3 62a_100000751617_100000179811 [0,1,0,0,1,0|1,0,0]=3 1652 B18R3.32726 Fc1ccc2nc(sc2c1)SC3CCCC3 62a_100011217020_100000751617 [0,1,0,0,1,0|1,0,0]=3 1653 B18R3.32726 Fc1ccc2nc(sc2c1)SC3CCOC3 62a_100000751617_100000690089 [0,1,0,0,1,0|1,0,0]=3 1654 B18R3.32726 Fc1ccc2nc(sc2n1)SC3CCCC3 62a_100011217020_200010738066 [0,1,0,0,1,0|2,0,0]=4 1655 B18R3.32726 Fc1ccc2nc(sc2n1)SC3CCCC3 62a_200010738066_100000179811 [0,1,0,0,1,0|2,0,0]=4 1656 B18R3.32726 Fc1ccc2nc(sc2n1)SC3CCOC3 62a_200010738066_100000690089 [0,1,0,0,1,0|2,0,0]=4 1657 B18R3.32726 Fc1ccc2oc(nc2c1)CN3CCCC3 2230a_100000188435_100000687093 [0,1,0,0,1,0|1,1,0]=4 1658 B18R3.32726 Fc1ccc2oc(nc2c1)CN3CCCC3 269982a_100000188435_100000687093 [0,1,0,0,1,0|1,1,0]=4 1659 B18R3.32726 Fc1ccc2sc(nc2c1)C=C3CCCC3 271570a_100010378317_200010206605 [0,1,0,0,1,0|2,0,0]=4 1660 B18R3.32726 Fc1ccc2sc(nc2c1)NC3CCCC3 27a_100000211070_200010206605 [0,1,0,0,1,0|2,0,0]=4 1661 B18R3.32726 Fc1ccc2sc(nc2c1)N[C@@H]3CCOC3 27a_200015188469_200010206605 [0,1,0,0,1,0|2,0,0]=4 1662 B18R3.32726 Fc1ccc2sc(nc2c1)N[C@H]3CCOC3 27a_100015188467_200010206605 [0,1,0,0,1,0|2,0,0]=4 1663 B18R3.32726 Fc1ccc2sc(nc2c1)SC3CCCC3 62a_100011217020_200010206605 [0,1,0,0,1,0|1,0,0]=3 1664 B18R3.32726 Fc1ccc2sc(nc2c1)SC3CCCC3 62a_200010206605_100000179811 [0,1,0,0,1,0|1,0,0]=3 1665 B18R3.32726 Fc1ccc2sc(nc2c1)SC3CCOC3 62a_200010206605_100000690089 [0,1,0,0,1,0|1,0,0]=3 1666 B18R3.32726 Nc1ccc2nc(sc2c1)C=C3CCCC3 271570a_100010378317_100010253933 [0,1,0,0,1,0|2,0,0]=4 1667 B18R3.32726 Nc1ccc2nc(sc2c1)NC3CCCC3 27a_100000211070_100010253933 [0,1,0,0,1,0|2,0,0]=4 1668 B18R3.32726 Nc1ccc2nc(sc2c1)N[C@@H]3CCOC3 27a_200015188469_100010253933 [0,1,0,0,1,0|2,0,0]=4 1669 B18R3.32726 Nc1ccc2nc(sc2c1)N[C@H]3CCOC3 27a_100015188467_100010253933 [0,1,0,0,1,0|2,0,0]=4 1670 B18R3.32726 Nc1ccc2nc(sc2c1)SC3CCCC3 62a_100010253933_100000179811 [0,1,0,0,1,0|1,0,0]=3 1671 B18R3.32726 Nc1ccc2nc(sc2c1)SC3CCCC3 62a_100011217020_100010253933 [0,1,0,0,1,0|1,0,0]=3 1672 B18R3.32726 Nc1ccc2nc(sc2c1)SC3CCOC3 62a_100010253933_100000690089 [0,1,0,0,1,0|1,0,0]=3 1673 B18R3.32726 Nc1ccc2sc(nc2c1)C=C3CCCC3 271570a_100010378317_100010329861 [0,1,0,0,1,0|2,0,0]=4 1674 B18R3.32726 Nc1ccc2sc(nc2c1)NC3CCCC3 27a_100000211070_100010329861 [0,1,0,0,1,0|2,0,0]=4 1675 B18R3.32726 Nc1ccc2sc(nc2c1)N[C@@H]3CCOC3 27a_200015188469_100010329861 [0,1,0,0,1,0|2,0,0]=4 1676 B18R3.32726 Nc1ccc2sc(nc2c1)N[C@H]3CCOC3 27a_100015188467_100010329861 [0,1,0,0,1,0|2,0,0]=4 1677 B18R3.32726 Nc1ccc2sc(nc2c1)SC3CCCC3 62a_100010329861_100000179811 [0,1,0,0,1,0|1,0,0]=3 1678 B18R3.32726 Nc1ccc2sc(nc2c1)SC3CCCC3 62a_100011217020_100010329861 [0,1,0,0,1,0|1,0,0]=3 1679 B18R3.32726 Nc1ccc2sc(nc2c1)SC3CCOC3 62a_100010329861_100000690089 [0,1,0,0,1,0|1,0,0]=3 1680 B18R3.32726 Oc1ccc2nc(sc2c1)C=C3CCCC3 271570a_100010378317_100010063415 [0,1,0,0,1,0|2,0,0]=4 1681 B18R3.32726 Oc1ccc2nc(sc2c1)NC3CCCC3 27a_100000211070_100010063415 [0,1,0,0,1,0|2,0,0]=4 1682 B18R3.32726 Oc1ccc2nc(sc2c1)N[C@@H]3CCOC3 27a_200015188469_100010063415 [0,1,0,0,1,0|2,0,0]=4 1683 B18R3.32726 Oc1ccc2nc(sc2c1)N[C@H]3CCOC3 27a_100015188467_100010063415 [0,1,0,0,1,0|2,0,0]=4 1684 B18R3.32726 Oc1ccc2nc(sc2c1)SC3CCCC3 62a_100011217020_100010063415 [0,1,0,0,1,0|1,0,0]=3 1685 B18R3.88205 Brc1cccc2c1cc(s2)CN3CCCC3 270004a_100000188435_100010109917 [0,1,0,0,1,0|2,0,0]=4 1686 B18R3.88205 Brc1cccc2c1sc(c2)CN3CCCC3 270004a_100000188435_100010110135 [0,1,0,0,1,0|2,0,0]=4 1687 B18R3.88205 Cc1cccc2c1nc(o2)CN3CCCC3 2230a_100000188435_100011397728 [0,1,0,0,1,0|1,1,0]=4 1688 B18R3.88205 Cc1cccc2c1nc(o2)CN3CCCC3 269982a_100000188435_100011397728 [0,1,0,0,1,0|1,1,0]=4 1689 B18R3.88205 Cc1cccc2c1nc(s2)C=C3CCCC3 271570a_100010378317_100010008827 [0,1,0,0,1,0|2,0,0]=4 1690 B18R3.88205 Cc1cccc2c1nc(s2)NC3CCCC3 27a_100000211070_100010008827 [0,1,0,0,1,0|2,0,0]=4 1691 B18R3.88205 Cc1cccc2c1nc(s2)N[C@@H]3CCOC3 27a_200015188469_100010008827 [0,1,0,0,1,0|2,0,0]=4 1692 B18R3.88205 Cc1cccc2c1nc(s2)N[C@H]3CCOC3 27a_100015188467_100010008827 [0,1,0,0,1,0|2,0,0]=4 1693 B18R3.88205 Cc1cccc2c1nc(s2)SC3CCCC3 62a_100011217020_100010008827 [0,1,0,0,1,0|1,0,0]=3 1694 B18R3.88205 Clc1cccc2c1cc(s2)CN3CCCC3 270004a_100000188435_100000117544 [0,1,0,0,1,0|2,0,0]=4 1695 B18R3.88205 Fc1cccc2c1nc(s2)C=C3CCCC3 271570a_100010378317_100010008856 [0,1,0,0,1,0|2,0,0]=4 1696 B18R3.88205 Fc1cccc2c1nc(s2)NC3CCCC3 27a_100000211070_100010008856 [0,1,0,0,1,0|2,0,0]=4 1697 B18R3.88205 Fc1cccc2c1nc(s2)N[C@@H]3CCOC3 27a_200015188469_100010008856 [0,1,0,0,1,0|2,0,0]=4 1698 B18R3.88205 Fc1cccc2c1nc(s2)N[C@H]3CCOC3 27a_100015188467_100010008856 [0,1,0,0,1,0|2,0,0]=4 1699 B18R3.88205 Fc1cccc2c1nc(s2)SC3CCCC3 62a_100011217020_100010008856 [0,1,0,0,1,0|1,0,0]=3 1700 B18R3.93074 CC1SCCN1Cc2nc3ccccc3s2 2230a_200011216479_100000766747 [0,1,0,0,1,0|1,1,0]=4 1701 B18R3.93074 CC1SCCN1Cc2nc3ccccc3s2 269982a_200011216479_100011217541 [0,1,0,0,1,0|1,1,0]=4 1702 B18R3.93074 CC1SCCN1Cc2nc3ccccc3s2 270004a_200011216479_100011204187 [0,1,0,0,1,0|1,1,0]=4 1703 B18R3.93074 CC1SCCN1Cc2nc3ccccc3s2 34a_200011216479_100011217541 [0,1,0,0,1,0|1,1,0]=4 1704 B18R3.93074 C[C@@H]1CCCN1Cc2cc3ccccc3s2 270004a_100015189458_100000686906 [0,1,0,0,1,0|2,0,0]=4 1705 B18R3.93074 C[C@@H]1CCCN1Cc2nc3ccccc3[nH]2 2230a_100015189458_100000737899 [0,1,0,0,1,0|2,0,0]=4 1706 B18R3.93074 C[C@@H]1CCCN1Cc2nc3ccccc3[nH]2 269982a_100015189458_100000737899 [0,1,0,0,1,0|2,0,0]=4 1707 B18R3.93074 C[C@@H]1CCCN1Cc2nc3ccccc3[nH]2 270004a_100015189458_100000185668 [0,1,0,0,1,0|2,0,0]=4 1708 B18R3.93074 C[C@@H]1CCCN1Cc2nc3ccccc3o2 2230a_100015189458_100000195508 [0,1,0,0,1,0|1,1,0]=4 1709 B18R3.93074 C[C@@H]1CCCN1Cc2nc3ccccc3o2 34a_100015189458_200012361514 [0,1,0,0,1,0|1,1,0]=4 1710 B18R3.93074 C[C@@H]1CCCN1Cc2nc3ccccc3s2 2230a_100015189458_100000766747 [0,1,0,0,1,0|1,0,0]=3 1711 B18R3.93074 C[C@@H]1CCCN1Cc2nc3ccccc3s2 269982a_100015189458_100011217541 [0,1,0,0,1,0|1,0,0]=3 1712 B18R3.93074 C[C@@H]1CCCN1Cc2nc3ccccc3s2 270004a_100015189458_100011204187 [0,1,0,0,1,0|1,0,0]=3 1713 B18R3.93074 C[C@@H]1CCCN1Cc2nc3ccccc3s2 34a_100015189458_100011217541 [0,1,0,0,1,0|1,0,0]=3 1714 B18R3.93074 C[C@H]1CCCN1Cc2cc3ccccc3s2 270004a_100020605311_100000686906 [0,1,0,0,1,0|2,0,0]=4 1715 B18R3.93074 C[C@H]1CCCN1Cc2nc3ccccc3[nH]2 2230a_100020605311_100000737899 [0,1,0,0,1,0|2,0,0]=4 1716 B18R3.93074 C[C@H]1CCCN1Cc2nc3ccccc3[nH]2 269982a_100020605311_100000737899 [0,1,0,0,1,0|2,0,0]=4 1717 B18R3.93074 C[C@H]1CCCN1Cc2nc3ccccc3[nH]2 270004a_100020605311_100000185668 [0,1,0,0,1,0|2,0,0]=4 1718 B18R3.93074 C[C@H]1CCCN1Cc2nc3ccccc3o2 2230a_100020605311_100000195508 [0,1,0,0,1,0|1,1,0]=4 1719 B18R3.93074 C[C@H]1CCCN1Cc2nc3ccccc3s2 2230a_100020605311_100000766747 [0,1,0,0,1,0|1,0,0]=3 1720 B18R3.93074 C[C@H]1CCCN1Cc2nc3ccccc3s2 269982a_100020605311_100011217541 [0,1,0,0,1,0|1,0,0]=3 1721 B18R3.93074 C[C@H]1CCCN1Cc2nc3ccccc3s2 270004a_100020605311_100011204187 [0,1,0,0,1,0|1,0,0]=3 1722 B18R3.93074 O=C1CCCC1Sc2nc3ccccc3s2 62a_100000211823_100000751744 [0,1,0,0,1,0|1,0,1]=4 1723 B18R3.93074 O=C1OCCC1Sc2nc3ccccc3s2 62a_100000211211_100000751744 [0,1,0,0,1,0|1,0,1]=4 1724 B18R3.93074 OC1COCC1Sc2cc3ccccc3s2 62a_200000725654_100009816949 [0,1,0,0,1,0|2,0,0]=4 1725 B18R3.93074 OC1COCC1Sc2nc3ccccc3[nH]2 62a_200000725654_100009814255 [0,1,0,0,1,0|2,0,0]=4 1726 B18R3.93074 OC1COCC1Sc2nc3ccccc3s2 62a_200000725654_100000751744 [0,1,0,0,1,0|1,0,0]=3 1727 B18R3.93074 OC1COCC1Sc2nc3cccnc3s2 62a_100010188088_200000725654 [0,1,0,0,1,0|2,0,0]=4 1728 B18R3.93074 OC1COCC1Sc2nc3cccnc3s2 62a_200000725654_100010188088 [0,1,0,0,1,0|2,0,0]=4 1729 B18R3.93074 O[C@@H]1CCC[C@H]1Sc2cc3ccccc3s2 62a_200016002552_100009816949 [0,1,0,0,1,0|2,0,0]=4 1730 B18R3.93074 O[C@@H]1CCC[C@H]1Sc2nc3ccccc3[nH]2 62a_200016002552_100009814255 [0,1,0,0,1,0|2,0,0]=4 1731 B18R3.93074 O[C@@H]1CCC[C@H]1Sc2nc3ccccc3s2 62a_200016002552_100000751744 [0,1,0,0,1,0|1,0,0]=3 1732 B18R3.93074 O[C@@H]1CCC[C@H]1Sc2nc3cccnc3s2 62a_100010188088_200016002552 [0,1,0,0,1,0|2,0,0]=4 1733 B18R3.93074 O[C@@H]1CCC[C@H]1Sc2nc3cccnc3s2 62a_200016002552_100010188088 [0,1,0,0,1,0|2,0,0]=4 1734 B18R3.93074 O[C@H]1CCC[C@@H]1Nc2nc3ccccc3s2 27a_100000748460_100000751744 [0,1,0,0,1,0|2,0,0]=4 1735 B18R3.93074 O[C@H]1COC[C@@H]1Nc2nc3ccccc3s2 27a_100015191717_100000751744 [0,1,0,0,1,0|2,0,0]=4 1736 B18R3.534891 CC1(CCOC1)Nc2nc3ccccc3s2 27a_100000693475_100000751744 [0,1,0,0,1,0|2,0,0]=4 1737 B18R3.1438207 CC(c1nc2ccccc2[nH]1)N3CCCC3 270004a_100000188435_100000199114 [0,1,0,0,1,0|2,0,0]=4 1738 B18R3.1438207 CN(c1nc2ccccc2s1)C3CCCC3 27a_100000207505_100000751744 [0,1,0,0,1,0|2,0,0]=4 1739 B18R3.1438207 CN(c1nc2ccccc2s1)C3CCOC3 27a_100016988252_100000751744 [0,1,0,0,1,0|2,0,0]=4 1740 B18R3.111 Cn1c(nc2c1cccc2)N3CCOCC3 27a_100015191051_200000239431 [0,1,0,0,1,0|1,0,0]=3 1741 B18R3.111 Cn1c(nc2c1cccc2)N3CCSCC3 27a_100000737611_200000239431 [0,1,0,0,1,0|1,1,0]=4 1742 B18R3.5893 Cc1cccc2c1nc(s2)C3=CCOCC3 271570a_100000070234_100010008827 [0,1,0,0,1,0|1,0,1]=4 1743 B18R3.5893 Cc1cccc2c1nc(s2)N3CC=CCC3 27a_100000698166_100010008827 [0,1,0,0,1,0|1,0,1]=4 1744 B18R3.5893 Cc1cccc2c1nc(s2)N3CCOCC3 27a_100015191051_100010008827 [0,1,0,0,1,0|0,0,0]=2 1745 B18R3.5893 Cc1cccc2c1nc(s2)N3CCSCC3 27a_100000737611_100010008827 [0,1,0,0,1,0|0,1,0]=3 1746 B18R3.5893 Fc1cccc2c1nc(s2)C3=CCOCC3 271570a_100000070234_100010008856 [0,1,0,0,1,0|1,0,1]=4 1747 B18R3.5893 Fc1cccc2c1nc(s2)N3CC=CCC3 27a_100000698166_100010008856 [0,1,0,0,1,0|1,0,1]=4 1748 B18R3.5893 Fc1cccc2c1nc(s2)N3CCOCC3 27a_100015191051_100010008856 [0,1,0,0,1,0|0,0,0]=2 1749 B18R3.5893 Fc1cccc2c1nc(s2)N3CCSCC3 27a_100000737611_100010008856 [0,1,0,0,1,0|0,1,0]=3 1750 B18R3.30705 C=C1CCN(CC1)c2nc3ccccc3[nH]2 27a_100000752442_100009814255 [0,1,0,0,1,0|2,0,0]=4 1751 B18R3.30705 C=C1CCN(CC1)c2nc3ccccc3s2 27a_100000752442_100000751744 [0,1,0,0,1,0|1,0,0]=3 1752 B18R3.30705 C=C1CCN(CC1)c2nc3cccnc3s2 27a_100000752442_100010188088 [0,1,0,0,1,0|2,0,0]=4 1753 B18R3.30705 CC1=CCN(CC1)c2nc3ccccc3s2 27a_100000693516_100000751744 [0,1,0,0,1,0|1,0,1]=4 1754 B18R3.30705 CC1CCN(CC1)c2nc3ccccc3[nH]2 27a_100000188429_100009814255 [0,1,0,0,1,0|2,0,0]=4 1755 B18R3.30705 CC1CCN(CC1)c2nc3ccccc3s2 27a_100000188429_100000751744 [0,1,0,0,1,0|1,0,0]=3 1756 B18R3.30705 CC1CCN(CC1)c2nc3cccnc3s2 27a_100000188429_100010188088 [0,1,0,0,1,0|2,0,0]=4 1757 B18R3.30705 CN1CCC(CC1)c2nc3ccccc3s2 2230a_100000181280_200000210301 [0,1,0,0,1,0|2,0,0]=4 1758 B18R3.30705 CN1CCC(CC1)c2nc3ccccc3s2 269982a_100000181280_200000210301 [0,1,0,0,1,0|2,0,0]=4 1759 B18R3.30705 CN1CCN(CC1)c2nc3ccccc3[nH]2 2230a_100000748676_200000210301 [0,1,0,0,1,0|2,0,0]=4 1760 B18R3.30705 CN1CCN(CC1)c2nc3ccccc3[nH]2 269982a_100000748676_200000210301 [0,1,0,0,1,0|2,0,0]=4 1761 B18R3.30705 CN1CCN(CC1)c2nc3ccccc3[nH]2 27a_100000188432_100009814255 [0,1,0,0,1,0|2,0,0]=4 1762 B18R3.30705 CN1CCN(CC1)c2nc3ccccc3o2 2230a_100000752761_200000210301 [0,1,0,0,1,0|1,1,0]=4 1763 B18R3.30705 CN1CCN(CC1)c2nc3ccccc3o2 269982a_100000752761_200000210301 [0,1,0,0,1,0|1,1,0]=4 1764 B18R3.30705 CN1CCN(CC1)c2nc3ccccc3s2 2230a_100000748302_200000210301 [0,1,0,0,1,0|1,0,0]=3 1765 B18R3.30705 CN1CCN(CC1)c2nc3ccccc3s2 269982a_100000748302_200000210301 [0,1,0,0,1,0|1,0,0]=3 1766 B18R3.30705 CN1CCN(CC1)c2nc3ccccc3s2 27a_100000188432_100000751744 [0,1,0,0,1,0|1,0,0]=3 1767 B18R3.30705 CN1CCN(CC1)c2nc3cccnc3s2 27a_100000188432_100010188088 [0,1,0,0,1,0|2,0,0]=4 1768 B18R3.30705 FC1CCN(CC1)c2nc3ccccc3[nH]2 27a_100015193889_100009814255 [0,1,0,0,1,0|2,0,0]=4 1769 B18R3.30705 FC1CCN(CC1)c2nc3ccccc3s2 27a_100015193889_100000751744 [0,1,0,0,1,0|1,0,0]=3 1770 B18R3.30705 FC1CCN(CC1)c2nc3cccnc3s2 27a_100015193889_100010188088 [0,1,0,0,1,0|2,0,0]=4 1771 B18R3.30705 O=S1CCN(CC1)c2nc3ccccc3[nH]2 27a_100000752083_100009814255 [0,1,0,0,1,0|1,1,0]=4 1772 B18R3.30705 O=S1CCN(CC1)c2nc3ccccc3s2 27a_100000752083_100000751744 [0,1,0,0,1,0|0,1,0]=3 1773 B18R3.30705 O=S1CCN(CC1)c2nc3cccnc3s2 27a_100000752083_100010188088 [0,1,0,0,1,0|1,1,0]=4 1774 B18R3.30705 OC1CCN(CC1)c2nc3ccccc3[nH]2 27a_100025773856_100009814255 [0,1,0,0,1,0|2,0,0]=4 1775 B18R3.30705 OC1CCN(CC1)c2nc3ccccc3s2 27a_100025773856_100000751744 [0,1,0,0,1,0|1,0,0]=3 1776 B18R3.30705 OC1CCN(CC1)c2nc3cccnc3s2 27a_100025773856_100010188088 [0,1,0,0,1,0|2,0,0]=4 1777 B18R3.30705 [13CH3]N1CCC(CC1)c2nc3ccccc3s2 2230a_100000181280_200025704644 [0,1,0,0,1,0|2,0,0]=4 1778 B18R3.30705 [13CH3]N1CCC(CC1)c2nc3ccccc3s2 269982a_100000181280_200025704644 [0,1,0,0,1,0|2,0,0]=4 1779 B18R3.30705 [13CH3]N1CCN(CC1)c2nc3ccccc3[nH]2 2230a_100000748676_200025704644 [0,1,0,0,1,0|2,0,0]=4 1780 B18R3.30705 [13CH3]N1CCN(CC1)c2nc3ccccc3[nH]2 269982a_100000748676_200025704644 [0,1,0,0,1,0|2,0,0]=4 1781 B18R3.30705 [13CH3]N1CCN(CC1)c2nc3ccccc3o2 2230a_100000752761_200025704644 [0,1,0,0,1,0|1,1,0]=4 1782 B18R3.30705 [13CH3]N1CCN(CC1)c2nc3ccccc3o2 269982a_100000752761_200025704644 [0,1,0,0,1,0|1,1,0]=4 1783 B18R3.30705 [13CH3]N1CCN(CC1)c2nc3ccccc3s2 2230a_100000748302_200025704644 [0,1,0,0,1,0|1,0,0]=3 1784 B18R3.30705 [13CH3]N1CCN(CC1)c2nc3ccccc3s2 269982a_100000748302_200025704644 [0,1,0,0,1,0|1,0,0]=3 1785 B18R3.31677 CC1=CCCN(C1)c2nc3ccccc3s2 27a_100000725631_100000751744 [0,1,0,0,1,0|1,0,1]=4 1786 B18R3.31677 CC1CN(CCO1)c2nc3ccccc3[nH]2 27a_100000729577_100009814255 [0,1,0,0,1,0|1,0,0]=3 1787 B18R3.31677 CC1CN(CCO1)c2nc3ccccc3s2 27a_100000729577_100000751744 [0,1,0,0,1,0|0,0,0]=2 1788 B18R3.31677 CC1CN(CCO1)c2nc3cccnc3s2 27a_100000729577_100010188088 [0,1,0,0,1,0|1,0,0]=3 1789 B18R3.31677 C[C@H]1CCCN(C1)c2nc3ccccc3[nH]2 27a_100000717927_100009814255 [0,1,0,0,1,0|2,0,0]=4 1790 B18R3.31677 C[C@H]1CCCN(C1)c2nc3ccccc3s2 27a_100000717927_100000751744 [0,1,0,0,1,0|1,0,0]=3 1791 B18R3.31677 C[C@H]1CCCN(C1)c2nc3cccnc3s2 27a_100000717927_100010188088 [0,1,0,0,1,0|2,0,0]=4 1792 B18R3.31677 FC1CCCN(C1)c2nc3ccccc3[nH]2 27a_100000697950_100009814255 [0,1,0,0,1,0|2,0,0]=4 1793 B18R3.31677 FC1CCCN(C1)c2nc3ccccc3s2 27a_100000697950_100000751744 [0,1,0,0,1,0|1,0,0]=3 1794 B18R3.31677 FC1CCCN(C1)c2nc3cccnc3s2 27a_100000697950_100010188088 [0,1,0,0,1,0|2,0,0]=4 1795 B18R3.31677 O=C1CN(CCN1)c2nc3ccccc3s2 27a_100000184651_100000751744 [0,1,0,0,1,0|1,0,1]=4 1796 B18R3.31677 OC1CCCN(C1)c2nc3ccccc3[nH]2 27a_100000211013_100009814255 [0,1,0,0,1,0|2,0,0]=4 1797 B18R3.31677 OC1CCCN(C1)c2nc3ccccc3s2 27a_100000211013_100000751744 [0,1,0,0,1,0|1,0,0]=3 1798 B18R3.31677 OC1CCCN(C1)c2nc3cccnc3s2 27a_100000211013_100010188088 [0,1,0,0,1,0|2,0,0]=4 1799 B18R3.32722 Cc1ccc2nc(sc2c1)C3=CCOCC3 271570a_100000070234_100010186437 [0,1,0,0,1,0|1,0,1]=4 1800 B18R3.32722 Cc1ccc2nc(sc2c1)N3CC=CCC3 27a_100000698166_100010186437 [0,1,0,0,1,0|1,0,1]=4 1801 B18R3.32722 Cc1ccc2nc(sc2c1)N3CCOCC3 27a_100015191051_100010186437 [0,1,0,0,1,0|0,0,0]=2 1802 B18R3.32722 Cc1ccc2nc(sc2c1)N3CCSCC3 27a_100000737611_100010186437 [0,1,0,0,1,0|0,1,0]=3 1803 B18R3.32722 Fc1ccc2nc(sc2c1)C3=CCOCC3 271570a_100000070234_100000751617 [0,1,0,0,1,0|1,0,1]=4 1804 B18R3.32722 Fc1ccc2nc(sc2c1)N3CC=CCC3 27a_100000698166_100000751617 [0,1,0,0,1,0|1,0,1]=4 1805 B18R3.32722 Fc1ccc2nc(sc2c1)N3CCOCC3 27a_100015191051_100000751617 [0,1,0,0,1,0|0,0,0]=2 1806 B18R3.32722 Fc1ccc2nc(sc2c1)N3CCSCC3 27a_100000737611_100000751617 [0,1,0,0,1,0|0,1,0]=3 1807 B18R3.32722 Fc1ccc2nc(sc2n1)N3CCOCC3 27a_100015191051_200010738066 [0,1,0,0,1,0|1,0,0]=3 1808 B18R3.32722 Fc1ccc2nc(sc2n1)N3CCSCC3 27a_100000737611_200010738066 [0,1,0,0,1,0|1,1,0]=4 1809 B18R3.32722 Fc1ccc2sc(nc2c1)C3=CCOCC3 271570a_100000070234_200010206605 [0,1,0,0,1,0|1,0,1]=4 1810 B18R3.32722 Fc1ccc2sc(nc2c1)N3CC=CCC3 27a_100000698166_200010206605 [0,1,0,0,1,0|1,0,1]=4 1811 B18R3.32722 Fc1ccc2sc(nc2c1)N3CCOCC3 27a_100015191051_200010206605 [0,1,0,0,1,0|0,0,0]=2 1812 B18R3.32722 Fc1ccc2sc(nc2c1)N3CCSCC3 27a_100000737611_200010206605 [0,1,0,0,1,0|0,1,0]=3 1813 B18R3.32722 Nc1ccc2nc(sc2c1)C3=CCOCC3 271570a_100000070234_100010253933 [0,1,0,0,1,0|1,0,1]=4 1814 B18R3.32722 Nc1ccc2nc(sc2c1)N3CC=CCC3 27a_100000698166_100010253933 [0,1,0,0,1,0|1,0,1]=4 1815 B18R3.32722 Nc1ccc2nc(sc2c1)N3CCOCC3 27a_100015191051_100010253933 [0,1,0,0,1,0|0,0,0]=2 1816 B18R3.32722 Nc1ccc2nc(sc2c1)N3CCSCC3 27a_100000737611_100010253933 [0,1,0,0,1,0|0,1,0]=3 1817 B18R3.32722 Nc1ccc2sc(nc2c1)C3=CCOCC3 271570a_100000070234_100010329861 [0,1,0,0,1,0|1,0,1]=4 1818 B18R3.32722 Nc1ccc2sc(nc2c1)N3CC=CCC3 27a_100000698166_100010329861 [0,1,0,0,1,0|1,0,1]=4 1819 B18R3.32722 Nc1ccc2sc(nc2c1)N3CCOCC3 27a_100015191051_100010329861 [0,1,0,0,1,0|0,0,0]=2 1820 B18R3.32722 Nc1ccc2sc(nc2c1)N3CCSCC3 27a_100000737611_100010329861 [0,1,0,0,1,0|0,1,0]=3 1821 B18R3.32722 Oc1ccc2nc(sc2c1)C3=CCOCC3 271570a_100000070234_100010063415 [0,1,0,0,1,0|1,0,1]=4 1822 B18R3.32722 Oc1ccc2nc(sc2c1)N3CC=CCC3 27a_100000698166_100010063415 [0,1,0,0,1,0|1,0,1]=4 1823 B18R3.32722 Oc1ccc2nc(sc2c1)N3CCOCC3 27a_100015191051_100010063415 [0,1,0,0,1,0|0,0,0]=2 1824 B18R3.32722 Oc1ccc2nc(sc2c1)N3CCSCC3 27a_100000737611_100010063415 [0,1,0,0,1,0|0,1,0]=3 1825 B18R3.47120 CC1CCCCN1c2nc3ccccc3[nH]2 27a_100000211376_100009814255 [0,1,0,0,1,0|2,0,0]=4 1826 B18R3.47120 CC1CCCCN1c2nc3ccccc3s2 27a_100000211376_100000751744 [0,1,0,0,1,0|1,0,0]=3 1827 B18R3.47120 CC1CCCCN1c2nc3cccnc3s2 27a_100000211376_100010188088 [0,1,0,0,1,0|2,0,0]=4 1828 B18R3.47120 C[C@H]1COCCN1c2nc3ccccc3[nH]2 27a_100009815349_100009814255 [0,1,0,0,1,0|1,0,0]=3 1829 B18R3.47120 C[C@H]1COCCN1c2nc3ccccc3s2 27a_100009815349_100000751744 [0,1,0,0,1,0|0,0,0]=2 1830 B18R3.47120 C[C@H]1COCCN1c2nc3cccnc3s2 27a_100009815349_100010188088 [0,1,0,0,1,0|1,0,0]=3 1831 B20R3.411 Brc1cc2ccccc2nc1SC3CCOCC3 62a_100010072790_100011324220 [0,1,0,0,0,1|2,0,0]=4 1832 B20R3.411 Cc1nc2ccccc2nc1SC3CCOCC3 62a_100000757254_100011324220 [0,1,0,0,0,1|2,0,0]=4 1833 B20R3.411 Clc1nc2ccccc2cc1CN3CCOCC3 2230a_100015191051_100000189640 [0,1,0,0,0,1|2,0,0]=4 1834 B20R3.411 Clc1nc2ccccc2cc1CN3CCOCC3 34a_100015191051_100000189640 [0,1,0,0,0,1|2,0,0]=4 1835 B20R3.411 Fc1nc2ccccc2cc1SC3CCOCC3 62a_100011158909_100011324220 [0,1,0,0,0,1|2,0,0]=4 1836 B20R3.411 Nc1nc2ccccc2cc1SC3CCOCC3 62a_100010135404_100011324220 [0,1,0,0,0,1|2,0,0]=4 1837 B20R3.411 Oc1nc2ccccc2cc1CN3CCOCC3 270004a_100015191051_100000184424 [0,1,0,0,0,1|2,0,0]=4 1838 B20R3.5551 Brc1ccc2ncc(cc2c1)CN3CCOCC3 270004a_100015191051_100010174008 [0,1,0,0,0,1|2,0,0]=4 1839 B20R3.5551 Brc1ccc2ncc(cc2c1)SC3CCOCC3 62a_100010740133_100011324220 [0,1,0,0,0,1|2,0,0]=4 1840 B20R3.5551 Clc1ccc2ccc(nc2c1)CN3CCOCC3 2230a_100015191051_100010196396 [0,1,0,0,0,1|2,0,0]=4 1841 B20R3.5551 Clc1ccc2ccc(nc2c1)CN3CCOCC3 269982a_100015191051_100010196396 [0,1,0,0,0,1|2,0,0]=4 1842 B20R3.5551 Clc1ccc2ccc(nc2c1)CN3CCOCC3 270004a_100015191051_100000083681 [0,1,0,0,0,1|2,0,0]=4 1843 B20R3.5551 Clc1ccc2ccc(nc2c1)CN3CCOCC3 34a_100015191051_100010196396 [0,1,0,0,0,1|2,0,0]=4 1844 B20R3.5551 Clc1ccc2ncc(cc2c1)CN3CCOCC3 270004a_100015191051_200000110299 [0,1,0,0,0,1|2,0,0]=4 1845 B20R3.5551 Clc1ccc2ncc(cc2c1)SC3CCOCC3 62a_100015929906_100011324220 [0,1,0,0,0,1|2,0,0]=4 1846 B20R3.5551 Fc1ccc2cnc(cc2c1)SC3CCOCC3 62a_100009828686_100011324220 [0,1,0,0,0,1|2,0,0]=4 1847 B20R3.5551 Fc1ccc2cnc(nc2c1)SC3CCOCC3 62a_100000104070_100011324220 [0,1,0,0,0,1|2,0,0]=4 1848 B20R3.5551 Nc1ccc2ncc(cc2c1)SC3CCOCC3 62a_100009888932_100011324220 [0,1,0,0,0,1|2,0,0]=4 1849 B20R3.12143 Brc1cccc2c1ncc(c2)SC3CCOCC3 62a_100010204298_100011324220 [0,1,0,0,0,1|2,0,0]=4 1850 B20R3.12143 Fc1cccc2c1ncc(c2)SC3CCOCC3 62a_100000049890_100011324220 [0,1,0,0,0,1|2,0,0]=4 1851 B20R3.13439 C[C@H]1COCCN1Cc2cc3ccccc3cn2 2230a_100009815349_100009869231 [0,1,0,0,0,1|2,0,0]=4 1852 B20R3.13439 C[C@H]1COCCN1Cc2cc3ccccc3cn2 269982a_100009815349_100009869231 [0,1,0,0,0,1|2,0,0]=4 1853 B20R3.13439 C[C@H]1COCCN1Cc2cc3ccccc3cn2 270004a_100009815349_100000059776 [0,1,0,0,0,1|2,0,0]=4 1854 B20R3.13439 C[C@H]1COCCN1Cc2cc3ccccc3cn2 34a_100009815349_100009869231 [0,1,0,0,0,1|2,0,0]=4 1855 B20R3.13439 C[C@H]1COCCN1Cc2ccc3ccccc3n2 2230a_100009815349_100000737579 [0,1,0,0,0,1|2,0,0]=4 1856 B20R3.13439 C[C@H]1COCCN1Cc2ccc3ccccc3n2 270004a_100009815349_100000759686 [0,1,0,0,0,1|2,0,0]=4 1857 B20R3.13439 C[C@H]1COCCN1Cc2ccc3ccccc3n2 34a_100009815349_100000737579 [0,1,0,0,0,1|2,0,0]=4 1858 B20R3.13439 C[C@H]1COCCN1Cc2cnc3ccccc3c2 270004a_100009815349_100000750898 [0,1,0,0,0,1|2,0,0]=4 1859 B20R3.13439 C[C@H]1COCCN1Cc2cnc3ccccc3n2 270004a_100009815349_100000204677 [0,1,0,0,0,1|2,0,0]=4 1860 B20R3.13439 C[C@H]1COCCN1Cc2ncc3ccccc3n2 34a_100009815349_100009868571 [0,1,0,0,0,1|2,0,0]=4 1861 B20R3.13449 Cc1cc(nc2c1cccc2)SC3CCOCC3 62a_100012354972_100011324220 [0,1,0,0,0,1|2,0,0]=4 1862 B20R3.13449 Cc1nc(nc2c1cccc2)CN3CCOCC3 2230a_100015191051_100000736427 [0,1,0,0,0,1|2,0,0]=4 1863 B20R3.13449 Cc1nc(nc2c1cccc2)CN3CCOCC3 269982a_100015191051_100000736427 [0,1,0,0,0,1|2,0,0]=4 1864 B20R3.13449 Cc1nc(nc2c1cccc2)CN3CCOCC3 34a_100015191051_100000736427 [0,1,0,0,0,1|2,0,0]=4 1865 B20R3.13449 Cc1nc(nc2c1cccc2)SC3CCOCC3 62a_100000046098_100011324220 [0,1,0,0,0,1|2,0,0]=4 1866 B20R3.13449 Clc1nc(nc2c1cccc2)CN3CCOCC3 269982a_100015191051_100010180038 [0,1,0,0,0,1|2,0,0]=4 1867 B20R3.13449 Nc1cc(nc2c1cccc2)SC3CCOCC3 62a_100010197925_100011324220 [0,1,0,0,0,1|2,0,0]=4 1868 B20R3.13449 Nc1nc(cc2c1cccc2)SC3CCOCC3 62a_100009957331_100011324220 [0,1,0,0,0,1|2,0,0]=4 1869 B20R3.13449 Nc1nc(nc2c1cccc2)SC3CCOCC3 62a_100000690328_100011324220 [0,1,0,0,0,1|2,0,0]=4 1870 B20R3.13449 O=c1[nH]c(nc2c1cccc2)CN3CCOCC3 2230a_100015191051_100000182789 [0,1,0,0,0,1|2,0,0]=4 1871 B20R3.13449 O=c1[nH]c(nc2c1cccc2)CN3CCOCC3 269982a_100015191051_100000182789 [0,1,0,0,0,1|2,0,0]=4 1872 B20R3.96365 Clc1c(cnc2c1cccc2)CN3CCOCC3 270004a_100015191051_100000037458 [0,1,0,0,0,1|2,0,0]=4 1873 B20R3.96365 Nc1c(cnc2c1cccc2)SC3CCOCC3 62a_100009995562_100011324220 [0,1,0,0,0,1|2,0,0]=4 1874 B20R3.96365 Nc1c(ncc2c1cccc2)SC3CCOCC3 62a_100009995564_100011324220 [0,1,0,0,0,1|2,0,0]=4 1875 B20R3.142237 Cc1ccc2nc(ccc2c1)CN3CCOCC3 2230a_100015191051_100009884411 [0,1,0,0,0,1|2,0,0]=4 1876 B20R3.142237 Cc1ccc2nc(ccc2c1)CN3CCOCC3 269982a_100015191051_100009884411 [0,1,0,0,0,1|2,0,0]=4 1877 B20R3.142237 Cc1ccc2nc(ccc2c1)CN3CCOCC3 34a_100015191051_100009884411 [0,1,0,0,0,1|2,0,0]=4 1878 B20R3.142237 Cc1ccc2nc(ccc2c1)SC3CCOCC3 62a_200000181977_100011324220 [0,1,0,0,0,1|2,0,0]=4 1879 B20R3.142237 Clc1ccc2cc(cnc2c1)SC3CCOCC3 62a_100015716233_100011324220 [0,1,0,0,0,1|2,0,0]=4 1880 B20R3.142237 Clc1ccc2cc(ncc2c1)CN3CCOCC3 2230a_100015191051_200010408301 [0,1,0,0,0,1|2,0,0]=4 1881 B20R3.142237 Clc1ccc2cc(ncc2c1)CN3CCOCC3 269982a_100015191051_200010408301 [0,1,0,0,0,1|2,0,0]=4 1882 B20R3.142237 Clc1ccc2cc(ncc2c1)CN3CCOCC3 34a_100015191051_200010408301 [0,1,0,0,0,1|2,0,0]=4 1883 B20R3.142237 Clc1ccc2nc(ccc2c1)CN3CCOCC3 270004a_100015191051_100000059782 [0,1,0,0,0,1|2,0,0]=4 1884 B20R3.142237 Fc1ccc2nc(ccc2c1)CN3CCOCC3 270004a_100015191051_100000068074 [0,1,0,0,0,1|2,0,0]=4 1885 B20R3.142237 Fc1ccc2nc(ccc2c1)SC3CCOCC3 62a_200012355665_100011324220 [0,1,0,0,0,1|2,0,0]=4 1886 B20R3.142237 Fc1ccc2nc(cnc2c1)SC3CCOCC3 62a_100000098432_100011324220 [0,1,0,0,0,1|2,0,0]=4 1887 B20R3.142237 Nc1ccc2cc(cnc2c1)SC3CCOCC3 62a_200010264087_100011324220 [0,1,0,0,0,1|2,0,0]=4 1888 B20R3.251407 Clc1cccc2c1nc(cc2)CN3CCOCC3 270004a_100015191051_200000068262 [0,1,0,0,0,1|2,0,0]=4 1889 B20R3.251407 Fc1cccc2c1nc(cc2)CN3CCOCC3 270004a_100015191051_100000068176 [0,1,0,0,0,1|2,0,0]=4 1890 B20R3.251407 Nc1cccc2c1cc(cn2)SC3CCOCC3 62a_100010264086_100011324220 [0,1,0,0,0,1|2,0,0]=4 1891 B20R3.298912 CC1CN(CCO1)Cc2cc3ccccc3cn2 2230a_100000729577_100009869231 [0,1,0,0,0,1|2,0,0]=4 1892 B20R3.298912 CC1CN(CCO1)Cc2cc3ccccc3cn2 269982a_100000729577_100009869231 [0,1,0,0,0,1|2,0,0]=4 1893 B20R3.298912 CC1CN(CCO1)Cc2cc3ccccc3cn2 270004a_100000729577_100000059776 [0,1,0,0,0,1|2,0,0]=4 1894 B20R3.298912 CC1CN(CCO1)Cc2cc3ccccc3cn2 34a_100000729577_100009869231 [0,1,0,0,0,1|2,0,0]=4 1895 B20R3.298912 CC1CN(CCO1)Cc2ccc3ccccc3n2 2230a_100000729577_100000737579 [0,1,0,0,0,1|2,0,0]=4 1896 B20R3.298912 CC1CN(CCO1)Cc2ccc3ccccc3n2 270004a_100000729577_100000759686 [0,1,0,0,0,1|2,0,0]=4 1897 B20R3.298912 CC1CN(CCO1)Cc2ccc3ccccc3n2 34a_100000729577_100000737579 [0,1,0,0,0,1|2,0,0]=4 1898 B20R3.298912 CC1CN(CCO1)Cc2cnc3ccccc3c2 270004a_100000729577_100000750898 [0,1,0,0,0,1|2,0,0]=4 1899 B20R3.298912 CC1CN(CCO1)Cc2cnc3ccccc3n2 270004a_100000729577_100000204677 [0,1,0,0,0,1|2,0,0]=4 1900 B20R3.298912 CC1CN(CCO1)Cc2ncc3ccccc3n2 34a_100000729577_100009868571 [0,1,0,0,0,1|2,0,0]=4 1901 B20R3.298912 OC1CN(CCO1)Cc2cc3ccccc3cn2 2230a_100000688207_100009869231 [0,1,0,0,0,1|2,0,0]=4 1902 B20R3.298912 OC1CN(CCO1)Cc2cc3ccccc3cn2 269982a_100000688207_100009869231 [0,1,0,0,0,1|2,0,0]=4 1903 B20R3.298912 OC1CN(CCO1)Cc2cc3ccccc3cn2 270004a_100000688207_100000059776 [0,1,0,0,0,1|2,0,0]=4 1904 B20R3.298912 OC1CN(CCO1)Cc2ccc3ccccc3n2 2230a_100000688207_100000737579 [0,1,0,0,0,1|2,0,0]=4 1905 B20R3.298912 OC1CN(CCO1)Cc2ccc3ccccc3n2 270004a_100000688207_100000759686 [0,1,0,0,0,1|2,0,0]=4 1906 B20R3.298912 OC1CN(CCO1)Cc2cnc3ccccc3c2 270004a_100000688207_100000750898 [0,1,0,0,0,1|2,0,0]=4 1907 B20R3.298912 OC1CN(CCO1)Cc2cnc3ccccc3n2 270004a_100000688207_100000204677 [0,1,0,0,0,1|2,0,0]=4 1908 B20R3.277 Brc1c(sc2c1cccc2)SCC3CCOCC3 62a_100000754603_100015504031 [0,1,0,0,0,1|2,0,0]=4 1909 B20R3.277 Brc1c(sc2c1cccc2)SCC3CCOCC3 62a_100015504031_100000749018 [0,1,0,0,0,1|2,0,0]=4 1910 B20R3.277 Cc1c(sc2c1cccc2)SCC3CCOCC3 62a_100000754603_200010198769 [0,1,0,0,0,1|2,0,0]=4 1911 B20R3.277 Cn1c(nc2c1cccc2)CSC3CCOCC3 62a_100000748711_100011324220 [0,1,0,0,0,1|2,0,0]=4 1912 B20R3.277 Cn1c(nc2c1cccc2)SCC3CCOCC3 62a_100000754603_200000239431 [0,1,0,0,0,1|2,0,0]=4 1913 B20R3.277 Cn1c(nc2c1cccc2)SCC3CCOCC3 62a_200000239431_100000749018 [0,1,0,0,0,1|2,0,0]=4 1914 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 2230a_100020587155_100000766747 [0,1,0,0,0,1|2,0,0]=4 1915 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 269982a_100000204650_100011324220 [0,1,0,0,0,1|2,0,0]=4 1916 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 269982a_100020587155_100011217541 [0,1,0,0,0,1|2,0,0]=4 1917 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 270004a_100000204650_100011217826 [0,1,0,0,0,1|2,0,0]=4 1918 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 270004a_100020587155_100011204187 [0,1,0,0,0,1|2,0,0]=4 1919 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 34a_100020587155_100011217541 [0,1,0,0,0,1|2,0,0]=4 1920 B20R3.16119 O=C(Cc1cc2ccccc2s1)N3CCOCC3 11a_100015191051_100012001211 [0,1,0,0,0,1|2,0,0]=4 1921 B20R3.16119 O=C(Cc1cc2ccccc2s1)N3CCOCC3 1626a_100015191051_100012001211 [0,1,0,0,0,1|2,0,0]=4 1922 B20R3.16119 O=C(Cc1cc2ccccc2s1)N3CCOCC3 240690a_100015191051_100012001211 [0,1,0,0,0,1|2,0,0]=4 1923 B20R3.16119 O=C(Cc1nc2ccccc2[nH]1)N3CCOCC3 240690a_100015191051_100000188031 [0,1,0,0,0,1|2,0,0]=4 1924 B20R3.16119 O=C(Cc1nc2ccccc2s1)C3CCOCC3 1458a_100000195482_100011217541 [0,1,0,0,0,1|2,0,0]=4 1925 B20R3.16119 O=C(Cc1nc2ccccc2s1)N3CCOCC3 240690a_100015191051_100000747980 [0,1,0,0,0,1|1,0,0]=3 1926 B20R3.16119 O=C(Cc1nc2ccccc2s1)N3CCSCC3 240690a_100000737611_100000747980 [0,1,0,0,0,1|1,1,0]=4 1927 B20R3.91525 CC1CC(=NNc2nc3ccccc3s2)CCO1 4a_100000181811_100000755752 [0,1,0,0,0,1|2,0,0]=4 1928 B20R3.91525 CC1CC(CCO1)OCc2nc3ccccc3s2 34a_100011986385_100011217541 [0,1,0,0,0,1|1,1,0]=4 1929 B20R3.91525 CC1CC(CCO1)OCc2nc3ccccc3s2 7a_100011986385_100011217541 [0,1,0,0,0,1|1,1,0]=4 1930 B20R3.91525 CC1CN(CCO1)CCc2nc3ccccc3[nH]2 269982a_100000729577_100015206048 [0,1,0,0,0,1|2,0,0]=4 1931 B20R3.91525 OC1CN(CCO1)CCc2nc3ccccc3[nH]2 269982a_100000688207_100015206048 [0,1,0,0,0,1|2,0,0]=4 1932 B20R3.94169 Brc1ccc2[nH]c(nc2c1)CSC3CCOCC3 62a_100000701424_100011324220 [0,1,0,0,0,1|2,0,0]=4 1933 B20R3.94169 Brc1ccc2nc(oc2c1)CSC3CCOCC3 62a_100000729449_100011324220 [0,1,0,0,0,1|1,1,0]=4 1934 B20R3.94169 Brc1ccc2nc(sc2c1)NN=C3CCOCC3 4a_100009816745_100011217826 [0,1,0,0,0,1|2,0,0]=4 1935 B20R3.94169 Brc1ccc2sc(cc2c1)SCC3CCOCC3 62a_100000754603_200010198765 [0,1,0,0,0,1|2,0,0]=4 1936 B20R3.94169 Brc1ccc2sc(cc2c1)SCC3CCOCC3 62a_200010198765_100000749018 [0,1,0,0,0,1|2,0,0]=4 1937 B20R3.94169 Cc1ccc2nc([nH]c2c1)CCN3CCOCC3 269982a_100015191051_200015184454 [0,1,0,0,0,1|2,0,0]=4 1938 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCOCC3 27a_100000746373_100010186437 [0,1,0,0,0,1|2,0,0]=4 1939 B20R3.94169 Cc1ccc2nc(sc2c1)NN=C3CCOCC3 4a_100000067901_100011217826 [0,1,0,0,0,1|2,0,0]=4 1940 B20R3.94169 Cc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000211423_100010186437 [0,1,0,0,0,1|2,0,0]=4 1941 B20R3.94169 Cc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000754603_100010186437 [0,1,0,0,0,1|1,0,0]=3 1942 B20R3.94169 Clc1ccc2nc([nH]c2c1)CCN3CCOCC3 269982a_100015191051_100015185377 [0,1,0,0,0,1|2,0,0]=4 1943 B20R3.94169 Clc1ccc2nc(sc2c1)NN=C3CCOCC3 4a_100000043616_100011217826 [0,1,0,0,0,1|2,0,0]=4 1944 B20R3.94169 Clc1ccc2sc(nc2c1)NN=C3CCOCC3 4a_100000026785_100011217826 [0,1,0,0,0,1|2,0,0]=4 1945 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCOCC3 27a_100000746373_100000751617 [0,1,0,0,0,1|2,0,0]=4 1946 B20R3.94169 Fc1ccc2nc(sc2c1)NN=C3CCOCC3 4a_100000081544_100011217826 [0,1,0,0,0,1|2,0,0]=4 1947 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000211423_100000751617 [0,1,0,0,0,1|2,0,0]=4 1948 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000751617_100000211423 [0,1,0,0,0,1|2,0,0]=4 1949 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000751617_100000749018 [0,1,0,0,0,1|1,0,0]=3 1950 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000754603_100000751617 [0,1,0,0,0,1|1,0,0]=3 1951 B20R3.94169 Fc1ccc2nc(sc2n1)SCC3CCOCC3 62a_100000754603_200010738066 [0,1,0,0,0,1|2,0,0]=4 1952 B20R3.94169 Fc1ccc2nc(sc2n1)SCC3CCOCC3 62a_200010738066_100000749018 [0,1,0,0,0,1|2,0,0]=4 1953 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCOCC3 27a_100000746373_200010206605 [0,1,0,0,0,1|2,0,0]=4 1954 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCCCC3 62a_100000211423_200010206605 [0,1,0,0,0,1|2,0,0]=4 1955 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCCCC3 62a_200010206605_100000211423 [0,1,0,0,0,1|2,0,0]=4 1956 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCOCC3 62a_100000754603_200010206605 [0,1,0,0,0,1|1,0,0]=3 1957 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCOCC3 62a_200010206605_100000749018 [0,1,0,0,0,1|1,0,0]=3 1958 B20R3.94169 Nc1ccc2nc(sc2c1)NCC3CCOCC3 27a_100000746373_100010253933 [0,1,0,0,0,1|2,0,0]=4 1959 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000211423_100010253933 [0,1,0,0,0,1|2,0,0]=4 1960 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100010253933_100000211423 [0,1,0,0,0,1|2,0,0]=4 1961 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000754603_100010253933 [0,1,0,0,0,1|1,0,0]=3 1962 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100010253933_100000749018 [0,1,0,0,0,1|1,0,0]=3 1963 B20R3.94169 Nc1ccc2sc(nc2c1)NCC3CCOCC3 27a_100000746373_100010329861 [0,1,0,0,0,1|2,0,0]=4 1964 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCCCC3 62a_100000211423_100010329861 [0,1,0,0,0,1|2,0,0]=4 1965 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCCCC3 62a_100010329861_100000211423 [0,1,0,0,0,1|2,0,0]=4 1966 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCOCC3 62a_100000754603_100010329861 [0,1,0,0,0,1|1,0,0]=3 1967 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCOCC3 62a_100010329861_100000749018 [0,1,0,0,0,1|1,0,0]=3 1968 B20R3.94169 Oc1ccc2nc(sc2c1)NCC3CCOCC3 27a_100000746373_100010063415 [0,1,0,0,0,1|2,0,0]=4 1969 B20R3.94169 Oc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000211423_100010063415 [0,1,0,0,0,1|2,0,0]=4 1970 B20R3.94169 Oc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000754603_100010063415 [0,1,0,0,0,1|1,0,0]=3 1971 B20R3.97891 CC1COCCC1=NNc2nc3ccccc3s2 4a_100000181811_100000755695 [0,1,0,0,0,1|2,0,0]=4 1972 B20R3.97891 C[C@H]1COCCN1CCc2nc3ccccc3[nH]2 269982a_100009815349_100015206048 [0,1,0,0,0,1|2,0,0]=4 1973 B20R3.97891 FC1CCCCC1SCc2nc3ccccc3s2 62a_100011217541_100015423560 [0,1,0,0,0,1|2,0,0]=4 1974 B20R3.97891 FC1CCCCC1SCc2nc3ccccc3s2 62a_100015423560_100000766747 [0,1,0,0,0,1|2,0,0]=4 1975 B20R3.97891 FC1COCCC1=NNc2nc3ccccc3s2 4a_100000181811_100000117712 [0,1,0,0,0,1|2,0,0]=4 1976 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3s2 2230a_100016994078_100000766747 [0,1,0,0,0,1|2,0,0]=4 1977 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3s2 270004a_100016994078_100011204187 [0,1,0,0,0,1|2,0,0]=4 1978 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3s2 34a_100016994078_100011217541 [0,1,0,0,0,1|2,0,0]=4 1979 B20R3.97891 N[C@H]1COCC[C@@H]1OCc2nc3ccccc3s2 34a_100015739063_100011217541 [0,1,0,0,0,1|1,1,0]=4 1980 B20R3.97891 OC1CCCCC1SCc2nc3ccccc3s2 62a_100000038908_100000766747 [0,1,0,0,0,1|2,0,0]=4 1981 B20R3.97891 OC1CCCCC1SCc2nc3ccccc3s2 62a_100011217541_100000038908 [0,1,0,0,0,1|2,0,0]=4 1982 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3s2 2230a_100016994285_100000766747 [0,1,0,0,0,1|2,0,0]=4 1983 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3s2 270004a_100016994285_100011204187 [0,1,0,0,0,1|2,0,0]=4 1984 B20R3.248100 Brc1cccc2c1nc(s2)NN=C3CCOCC3 4a_100009820880_100011217826 [0,1,0,0,0,1|2,0,0]=4 1985 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCOCC3 27a_100000746373_100010008827 [0,1,0,0,0,1|2,0,0]=4 1986 B20R3.248100 Cc1cccc2c1nc(s2)NN=C3CCOCC3 4a_100000081539_100011217826 [0,1,0,0,0,1|2,0,0]=4 1987 B20R3.248100 Cc1cccc2c1nc(s2)SCC3CCCCC3 62a_100000211423_100010008827 [0,1,0,0,0,1|2,0,0]=4 1988 B20R3.248100 Cc1cccc2c1nc(s2)SCC3CCOCC3 62a_100000754603_100010008827 [0,1,0,0,0,1|1,0,0]=3 1989 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCOCC3 27a_100000746373_100010008856 [0,1,0,0,0,1|2,0,0]=4 1990 B20R3.248100 Fc1cccc2c1nc(s2)SCC3CCCCC3 62a_100000211423_100010008856 [0,1,0,0,0,1|2,0,0]=4 1991 B20R3.248100 Fc1cccc2c1nc(s2)SCC3CCOCC3 62a_100000754603_100010008856 [0,1,0,0,0,1|1,0,0]=3 1992 B20R3.331219 CC(NC1CCOCC1)c2nc3ccccc3s2 270004a_100000213967_100011217826 [0,1,0,0,0,1|2,0,0]=4 1993 B20R3.331219 CN(CC1CCOCC1)c2nc3ccccc3s2 27a_100025706683_100000751744 [0,1,0,0,0,1|2,0,0]=4 1994 B20R3.331219 O=C(CN1CCOCC1)c2cc3ccccc3s2 2230a_100015191051_100012351422 [0,1,0,0,0,1|2,0,0]=4 1995 B20R3.331219 O=C(CN1CCOCC1)c2cc3ccccc3s2 269982a_100015191051_100012351422 [0,1,0,0,0,1|2,0,0]=4 1996 B20R3.331219 O=C(CN1CCOCC1)c2nc3ccccc3s2 2230a_100015191051_100000198972 [0,1,0,0,0,1|1,0,0]=3 1997 B20R3.331219 O=C(CN1CCOCC1)c2nc3ccccc3s2 269982a_100015191051_100000198972 [0,1,0,0,0,1|1,0,0]=3 1998 B20R3.331219 O=C(CN1CCSCC1)c2nc3ccccc3s2 2230a_100000737611_100000198972 [0,1,0,0,0,1|1,1,0]=4 1999 B20R3.331219 O=C(CN1CCSCC1)c2nc3ccccc3s2 269982a_100000737611_100000198972 [0,1,0,0,0,1|1,1,0]=4 2000 B20R3.408728 CC1CCC(CC1)SCc2nc3ccccc3s2 62a_100011217541_200011216234 [0,1,0,0,0,1|2,0,0]=4 2001 B20R3.408728 CN1CCC(CC1)CSc2nc3ccccc3s2 62a_100015183002_100000751744 [0,1,0,0,0,1|2,0,0]=4 2002 B20R3.408728 CN1CCC(CC1)SCc2nc3ccccc3s2 62a_100011217541_100011215917 [0,1,0,0,0,1|2,0,0]=4 2003 B20R3.14686862 CC1(CCOCC1)CNc2nc3ccccc3s2 27a_100000695556_100000751744 [0,1,0,0,0,1|2,0,0]=4 2004 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3s2 2230a_100000692449_100000766747 [0,1,0,0,0,1|2,0,0]=4 2005 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3s2 270004a_100000692449_100011204187 [0,1,0,0,0,1|2,0,0]=4 2006 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3s2 34a_100000692449_100011217541 [0,1,0,0,0,1|2,0,0]=4 2007 B20R3.14686862 CC1(CCOCC1)OCc2nc3ccccc3s2 34a_100011827762_100011217541 [0,1,0,0,0,1|1,1,0]=4 2008 B20R3.14686862 CC1(CCOCC1)OCc2nc3ccccc3s2 7a_100011827762_100011217541 [0,1,0,0,0,1|1,1,0]=4 2009 B20R3.14686862 FC1(CCOCC1)CNc2nc3ccccc3s2 27a_100016991512_100000751744 [0,1,0,0,0,1|2,0,0]=4 2010 B20R3.14686862 OC1(CCOCC1)CNc2nc3ccccc3s2 27a_100000704115_100000751744 [0,1,0,0,0,1|2,0,0]=4 2011 B20R3.157571 Cc1c(sc2c1cccc2)CN3CCCOCC3 270004a_100000685342_100000038699 [0,1,0,0,0,1|2,0,0]=4 2012 B20R3.157571 Clc1c(sc2c1cccc2)CN3CCCOCC3 2230a_100000685342_100000021718 [0,1,0,0,0,1|2,0,0]=4 2013 B20R3.157571 Clc1c(sc2c1cccc2)CN3CCCOCC3 269982a_100000685342_100000021718 [0,1,0,0,0,1|2,0,0]=4 2014 B20R3.157571 Clc1c(sc2c1cccc2)CN3CCCOCC3 270004a_100000685342_100000017830 [0,1,0,0,0,1|2,0,0]=4 2015 B20R3.157571 Clc1c(sc2c1cccc2)CN3CCCOCC3 34a_100000685342_100000021718 [0,1,0,0,0,1|2,0,0]=4 2016 B20R3.157571 Cn1c(nc2c1cccc2)CN3CCCOCC3 2230a_100000685342_100000748711 [0,1,0,0,0,1|2,0,0]=4 2017 B20R3.157571 Cn1c(nc2c1cccc2)CN3CCCOCC3 269982a_100000685342_100000748711 [0,1,0,0,0,1|2,0,0]=4 2018 B20R3.157571 Cn1c(nc2c1cccc2)CN3CCCOCC3 270004a_100000685342_100000188960 [0,1,0,0,0,1|2,0,0]=4 2019 B20R3.157571 Cn1c(nc2c1cccc2)CN3CCCOCC3 34a_100000685342_100000748711 [0,1,0,0,0,1|2,0,0]=4 2020 B20R3.259397 O=C1CCCCCC1Sc2nc3ccccc3s2 62a_100000243696_100000751744 [0,1,0,0,0,1|2,0,0]=4 2021 B20R3.1866124 CC(c1nc2ccccc2[nH]1)N3CCCOCC3 270004a_100000685342_100000199114 [0,1,0,0,0,1|2,0,0]=4 2022 B20R3.3143876 OC1CCCCN(C1)Cc2nc3ccccc3s2 2230a_100025706797_100000766747 [0,1,0,0,0,1|2,0,0]=4 2023 B20R3.3143876 OC1CCCCN(C1)Cc2nc3ccccc3s2 269982a_100025706797_100011217541 [0,1,0,0,0,1|2,0,0]=4 2024 B20R3.3143876 OC1CCCCN(C1)Cc2nc3ccccc3s2 270004a_100025706797_100011204187 [0,1,0,0,0,1|2,0,0]=4 2025 B20R3.3143876 O[C@H]1COCCN(C1)Cc2cc3ccccc3s2 270004a_100016073750_100000686906 [0,1,0,0,0,1|2,0,0]=4 2026 B20R3.3143876 O[C@H]1COCCN(C1)Cc2nc3ccccc3[nH]2 2230a_100016073750_100000737899 [0,1,0,0,0,1|2,0,0]=4 2027 B20R3.3143876 O[C@H]1COCCN(C1)Cc2nc3ccccc3[nH]2 269982a_100016073750_100000737899 [0,1,0,0,0,1|2,0,0]=4 2028 B20R3.3143876 O[C@H]1COCCN(C1)Cc2nc3ccccc3[nH]2 270004a_100016073750_100000185668 [0,1,0,0,0,1|2,0,0]=4 2029 B20R3.3143876 O[C@H]1COCCN(C1)Cc2nc3ccccc3o2 2230a_100016073750_100000195508 [0,1,0,0,0,1|1,1,0]=4 2030 B20R3.3143876 O[C@H]1COCCN(C1)Cc2nc3ccccc3s2 2230a_100016073750_100000766747 [0,1,0,0,0,1|1,0,0]=3 2031 B20R3.3143876 O[C@H]1COCCN(C1)Cc2nc3ccccc3s2 269982a_100016073750_100011217541 [0,1,0,0,0,1|1,0,0]=3 2032 B20R3.3143876 O[C@H]1COCCN(C1)Cc2nc3ccccc3s2 270004a_100016073750_100011204187 [0,1,0,0,0,1|1,0,0]=3 2033 B20R3.3154734 CC1CCCN(CC1)Cc2nc3ccccc3s2 2230a_100025706717_100000766747 [0,1,0,0,0,1|2,0,0]=4 2034 B20R3.3154734 CC1CCCN(CC1)Cc2nc3ccccc3s2 269982a_100025706717_100011217541 [0,1,0,0,0,1|2,0,0]=4 2035 B20R3.3154734 CC1CCCN(CC1)Cc2nc3ccccc3s2 270004a_100025706717_100011204187 [0,1,0,0,0,1|2,0,0]=4 2036 B20R3.3154734 CC1CCCN(CC1)Cc2nc3ccccc3s2 34a_100025706717_100011217541 [0,1,0,0,0,1|2,0,0]=4 2037 B20R3.3154734 CN1CCCN(CC1)Cc2nc3ccccc3s2 2230a_100000211313_100000766747 [0,1,0,0,0,1|2,0,0]=4 2038 B20R3.3154734 CN1CCCN(CC1)Cc2nc3ccccc3s2 269982a_100000211313_100011217541 [0,1,0,0,0,1|2,0,0]=4 2039 B20R3.3154734 CN1CCCN(CC1)Cc2nc3ccccc3s2 270004a_100000211313_100011204187 [0,1,0,0,0,1|2,0,0]=4 2040 B20R3.3154734 O=C1CCN(CCN1)Cc2nc3ccccc3s2 2230a_100000698595_100000766747 [0,1,0,0,0,1|2,0,0]=4 2041 B20R3.3154734 O=C1CCN(CCN1)Cc2nc3ccccc3s2 269982a_100000698595_100011217541 [0,1,0,0,0,1|2,0,0]=4 2042 B20R3.3154734 O=C1CCN(CCN1)Cc2nc3ccccc3s2 270004a_100000698595_100011204187 [0,1,0,0,0,1|2,0,0]=4 2043 B20R3.3154734 OC1CCCN(CC1)Cc2nc3ccccc3s2 2230a_100015186869_100000766747 [0,1,0,0,0,1|2,0,0]=4 2044 B20R3.3154734 OC1CCCN(CC1)Cc2nc3ccccc3s2 269982a_100015186869_100011217541 [0,1,0,0,0,1|2,0,0]=4 2045 B20R3.3154734 OC1CCCN(CC1)Cc2nc3ccccc3s2 270004a_100015186869_100011204187 [0,1,0,0,0,1|2,0,0]=4 2046 B20R3.4429326 Brc1cccc2c1cc(s2)CN3CCCOCC3 270004a_100000685342_100010109917 [0,1,0,0,0,1|2,0,0]=4 2047 B20R3.4429326 Brc1cccc2c1sc(c2)CN3CCCOCC3 270004a_100000685342_100010110135 [0,1,0,0,0,1|2,0,0]=4 2048 B20R3.4429326 Cc1cccc2c1nc(o2)CN3CCCOCC3 2230a_100000685342_100011397728 [0,1,0,0,0,1|1,1,0]=4 2049 B20R3.4429326 Cc1cccc2c1nc(o2)CN3CCCOCC3 269982a_100000685342_100011397728 [0,1,0,0,0,1|1,1,0]=4 2050 B20R3.4429326 Cc1cccc2c1nc(o2)CN3CCCOCC3 34a_100000685342_100011397728 [0,1,0,0,0,1|1,1,0]=4 2051 B20R3.4429326 Cc1cccc2c1nc(s2)SC3CCCCCC3 62a_100011217769_100010008827 [0,1,0,0,0,1|2,0,0]=4 2052 B20R3.4429326 Clc1cccc2c1cc(s2)CN3CCCOCC3 270004a_100000685342_100000117544 [0,1,0,0,0,1|2,0,0]=4 2053 B20R3.4429326 Fc1cccc2c1nc(s2)SC3CCCCCC3 62a_100011217769_100010008856 [0,1,0,0,0,1|2,0,0]=4 2054 B20R3.12671820 Brc1ccc2[nH]c(nc2c1)CN3CCCOCC3 2230a_100000685342_100000701424 [0,1,0,0,0,1|2,0,0]=4 2055 B20R3.12671820 Brc1ccc2[nH]c(nc2c1)CN3CCCOCC3 269982a_100000685342_100000701424 [0,1,0,0,0,1|2,0,0]=4 2056 B20R3.12671820 Brc1ccc2[nH]c(nc2c1)CN3CCCOCC3 34a_100000685342_100000701424 [0,1,0,0,0,1|2,0,0]=4 2057 B20R3.12671820 Brc1ccc2cc(sc2c1)CN3CCCOCC3 270004a_100000685342_100009814784 [0,1,0,0,0,1|2,0,0]=4 2058 B20R3.12671820 Brc1ccc2nc([nH]c2c1)CN3CCCOCC3 270004a_100000685342_200011361486 [0,1,0,0,0,1|2,0,0]=4 2059 B20R3.12671820 Brc1ccc2nc(oc2c1)CN3CCCOCC3 2230a_100000685342_100000729449 [0,1,0,0,0,1|1,1,0]=4 2060 B20R3.12671820 Brc1ccc2nc(oc2c1)CN3CCCOCC3 34a_100000685342_100000729449 [0,1,0,0,0,1|1,1,0]=4 2061 B20R3.12671820 Brc1ccc2oc(nc2c1)CN3CCCOCC3 2230a_100000685342_100000730559 [0,1,0,0,0,1|1,1,0]=4 2062 B20R3.12671820 Brc1ccc2oc(nc2c1)CN3CCCOCC3 34a_100000685342_100000730559 [0,1,0,0,0,1|1,1,0]=4 2063 B20R3.12671820 Brc1ccc2sc(cc2c1)CN3CCCOCC3 270004a_100000685342_100010238522 [0,1,0,0,0,1|2,0,0]=4 2064 B20R3.12671820 Cc1ccc2nc([nH]c2c1)CN3CCCOCC3 2230a_100000685342_100020603265 [0,1,0,0,0,1|2,0,0]=4 2065 B20R3.12671820 Cc1ccc2nc([nH]c2c1)CN3CCCOCC3 269982a_100000685342_100020603265 [0,1,0,0,0,1|2,0,0]=4 2066 B20R3.12671820 Cc1ccc2nc([nH]c2c1)CN3CCCOCC3 34a_100000685342_100020603265 [0,1,0,0,0,1|2,0,0]=4 2067 B20R3.12671820 Cc1ccc2nc(oc2c1)CN3CCCOCC3 2230a_100000685342_100011295139 [0,1,0,0,0,1|1,1,0]=4 2068 B20R3.12671820 Cc1ccc2nc(oc2c1)CN3CCCOCC3 269982a_100000685342_100011295139 [0,1,0,0,0,1|1,1,0]=4 2069 B20R3.12671820 Cc1ccc2nc(oc2c1)CN3CCCOCC3 34a_100000685342_100011295139 [0,1,0,0,0,1|1,1,0]=4 2070 B20R3.12671820 Cc1ccc2nc(sc2c1)SC3CCCCCC3 62a_100011217769_100010186437 [0,1,0,0,0,1|2,0,0]=4 2071 B20R3.12671820 Cc1ccc2oc(nc2c1)CN3CCCOCC3 2230a_100000685342_100011374149 [0,1,0,0,0,1|1,1,0]=4 2072 B20R3.12671820 Cc1ccc2oc(nc2c1)CN3CCCOCC3 269982a_100000685342_100011374149 [0,1,0,0,0,1|1,1,0]=4 2073 B20R3.12671820 Cc1ccc2oc(nc2c1)CN3CCCOCC3 34a_100000685342_100011374149 [0,1,0,0,0,1|1,1,0]=4 2074 B20R3.12671820 Cc1ccc2sc(cc2c1)CN3CCCOCC3 270004a_100000685342_100000050833 [0,1,0,0,0,1|2,0,0]=4 2075 B20R3.12671820 Clc1ccc2[nH]c(nc2c1)CN3CCCOCC3 2230a_100000685342_100000179801 [0,1,0,0,0,1|2,0,0]=4 2076 B20R3.12671820 Clc1ccc2[nH]c(nc2c1)CN3CCCOCC3 269982a_100000685342_100000179801 [0,1,0,0,0,1|2,0,0]=4 2077 B20R3.12671820 Clc1ccc2oc(nc2c1)CN3CCCOCC3 2230a_100000685342_100011222916 [0,1,0,0,0,1|1,1,0]=4 2078 B20R3.12671820 Clc1ccc2oc(nc2c1)CN3CCCOCC3 269982a_100000685342_100011222916 [0,1,0,0,0,1|1,1,0]=4 2079 B20R3.12671820 Clc1ccc2sc(cc2c1)CN3CCCOCC3 270004a_100000685342_200000119088 [0,1,0,0,0,1|2,0,0]=4 2080 B20R3.12671820 Fc1ccc2[nH]c(nc2c1)CN3CCCOCC3 270004a_100000685342_200011915233 [0,1,0,0,0,1|2,0,0]=4 2081 B20R3.12671820 Fc1ccc2nc([nH]c2c1)CN3CCCOCC3 2230a_100000685342_200011347187 [0,1,0,0,0,1|2,0,0]=4 2082 B20R3.12671820 Fc1ccc2nc([nH]c2c1)CN3CCCOCC3 269982a_100000685342_200011347187 [0,1,0,0,0,1|2,0,0]=4 2083 B20R3.12671820 Fc1ccc2nc(oc2c1)CN3CCCOCC3 2230a_100000685342_100000687025 [0,1,0,0,0,1|1,1,0]=4 2084 B20R3.12671820 Fc1ccc2nc(oc2c1)CN3CCCOCC3 269982a_100000685342_100000687025 [0,1,0,0,0,1|1,1,0]=4 2085 B20R3.12671820 Fc1ccc2nc(oc2c1)CN3CCCOCC3 34a_100000685342_100000687025 [0,1,0,0,0,1|1,1,0]=4 2086 B20R3.12671820 Fc1ccc2nc(sc2c1)SC3CCCCCC3 62a_100000751617_100011217769 [0,1,0,0,0,1|2,0,0]=4 2087 B20R3.12671820 Fc1ccc2nc(sc2c1)SC3CCCCCC3 62a_100011217769_100000751617 [0,1,0,0,0,1|2,0,0]=4 2088 B20R3.12671820 Fc1ccc2oc(nc2c1)CN3CCCOCC3 2230a_100000685342_100000687093 [0,1,0,0,0,1|1,1,0]=4 2089 B20R3.12671820 Fc1ccc2oc(nc2c1)CN3CCCOCC3 269982a_100000685342_100000687093 [0,1,0,0,0,1|1,1,0]=4 2090 B20R3.12671820 Fc1ccc2oc(nc2c1)CN3CCCOCC3 34a_100000685342_100000687093 [0,1,0,0,0,1|1,1,0]=4 2091 B20R3.12671820 Fc1ccc2sc(nc2c1)SC3CCCCCC3 62a_100011217769_200010206605 [0,1,0,0,0,1|2,0,0]=4 2092 B20R3.12671820 Fc1ccc2sc(nc2c1)SC3CCCCCC3 62a_200010206605_100011217769 [0,1,0,0,0,1|2,0,0]=4 2093 B20R3.12671820 Nc1ccc2nc(sc2c1)SC3CCCCCC3 62a_100010253933_100011217769 [0,1,0,0,0,1|2,0,0]=4 2094 B20R3.12671820 Nc1ccc2nc(sc2c1)SC3CCCCCC3 62a_100011217769_100010253933 [0,1,0,0,0,1|2,0,0]=4 2095 B20R3.12671820 Nc1ccc2sc(nc2c1)SC3CCCCCC3 62a_100010329861_100011217769 [0,1,0,0,0,1|2,0,0]=4 2096 B20R3.12671820 Nc1ccc2sc(nc2c1)SC3CCCCCC3 62a_100011217769_100010329861 [0,1,0,0,0,1|2,0,0]=4 2097 B20R3.12671820 Oc1ccc2nc(sc2c1)SC3CCCCCC3 62a_100011217769_100010063415 [0,1,0,0,0,1|2,0,0]=4 2098 B20R3.2606 CCn1c(nc2c1cccc2)CN3CCOCC3 270004a_100015191051_100000186150 [0,2,0,0,0,0|2,0,0]=4 2099 B20R3.5484 CC1CN(CCO1)Cc2nc3ccccc3n2C 2230a_100000729577_100000748711 [0,2,0,0,0,0|2,0,0]=4 2100 B20R3.5484 CC1CN(CCO1)Cc2nc3ccccc3n2C 269982a_100000729577_100000748711 [0,2,0,0,0,0|2,0,0]=4 2101 B20R3.5484 CC1CN(CCO1)Cc2nc3ccccc3n2C 270004a_100000729577_100000188960 [0,2,0,0,0,0|2,0,0]=4 2102 B20R3.5484 CC1CN(CCO1)Cc2nc3ccccc3n2C 34a_100000729577_100000748711 [0,2,0,0,0,0|2,0,0]=4 2103 B20R3.5484 CC1CN(CCO1)Cc2sc3ccccc3c2Cl 2230a_100000729577_100000021718 [0,2,0,0,0,0|2,0,0]=4 2104 B20R3.5484 CC1CN(CCO1)Cc2sc3ccccc3c2Cl 269982a_100000729577_100000021718 [0,2,0,0,0,0|2,0,0]=4 2105 B20R3.5484 CC1CN(CCO1)Cc2sc3ccccc3c2Cl 270004a_100000729577_100000017830 [0,2,0,0,0,0|2,0,0]=4 2106 B20R3.5484 CC1CN(CCO1)Cc2sc3ccccc3c2Cl 34a_100000729577_100000021718 [0,2,0,0,0,0|2,0,0]=4 2107 B20R3.5484 Cc1c(sc2c1cccc2)CN3CCOC(C3)C 270004a_100000729577_100000038699 [0,2,0,0,0,0|2,0,0]=4 2108 B20R3.5484 Cc1c(sc2c1cccc2)CN3CCOC(C3)O 270004a_100000688207_100000038699 [0,2,0,0,0,0|2,0,0]=4 2109 B20R3.5484 Cn1c(nc2c1cccc2)CN3CCOC(C3)O 2230a_100000688207_100000748711 [0,2,0,0,0,0|2,0,0]=4 2110 B20R3.5484 Cn1c(nc2c1cccc2)CN3CCOC(C3)O 269982a_100000688207_100000748711 [0,2,0,0,0,0|2,0,0]=4 2111 B20R3.5484 Cn1c(nc2c1cccc2)CN3CCOC(C3)O 270004a_100000688207_100000188960 [0,2,0,0,0,0|2,0,0]=4 2112 B20R3.5484 OC1CN(CCO1)Cc2sc3ccccc3c2Cl 2230a_100000688207_100000021718 [0,2,0,0,0,0|2,0,0]=4 2113 B20R3.5484 OC1CN(CCO1)Cc2sc3ccccc3c2Cl 269982a_100000688207_100000021718 [0,2,0,0,0,0|2,0,0]=4 2114 B20R3.5484 OC1CN(CCO1)Cc2sc3ccccc3c2Cl 270004a_100000688207_100000017830 [0,2,0,0,0,0|2,0,0]=4 2115 B20R3.5711 C[C@H]1COCCN1Cc2nc3ccccc3n2C 2230a_100009815349_100000748711 [0,2,0,0,0,0|2,0,0]=4 2116 B20R3.5711 C[C@H]1COCCN1Cc2nc3ccccc3n2C 269982a_100009815349_100000748711 [0,2,0,0,0,0|2,0,0]=4 2117 B20R3.5711 C[C@H]1COCCN1Cc2nc3ccccc3n2C 270004a_100009815349_100000188960 [0,2,0,0,0,0|2,0,0]=4 2118 B20R3.5711 C[C@H]1COCCN1Cc2nc3ccccc3n2C 34a_100009815349_100000748711 [0,2,0,0,0,0|2,0,0]=4 2119 B20R3.5711 C[C@H]1COCCN1Cc2sc3ccccc3c2Cl 2230a_100009815349_100000021718 [0,2,0,0,0,0|2,0,0]=4 2120 B20R3.5711 C[C@H]1COCCN1Cc2sc3ccccc3c2Cl 269982a_100009815349_100000021718 [0,2,0,0,0,0|2,0,0]=4 2121 B20R3.5711 C[C@H]1COCCN1Cc2sc3ccccc3c2Cl 270004a_100009815349_100000017830 [0,2,0,0,0,0|2,0,0]=4 2122 B20R3.5711 C[C@H]1COCCN1Cc2sc3ccccc3c2Cl 34a_100009815349_100000021718 [0,2,0,0,0,0|2,0,0]=4 2123 B20R3.5711 Cc1c(sc2c1cccc2)CN3CCOC[C@@H]3C 270004a_100009815349_100000038699 [0,2,0,0,0,0|2,0,0]=4 2124 B20R3.277680 Cn1c(nc2c1ccc(c2)Cl)CN3CCOCC3 2230a_100015191051_100000741338 [0,2,0,0,0,0|2,0,0]=4 2125 B20R3.277680 Cn1c(nc2c1ccc(c2)Cl)CN3CCOCC3 269982a_100015191051_100000741338 [0,2,0,0,0,0|2,0,0]=4 2126 B20R3.277680 Cn1c(nc2c1ccc(c2)Cl)CN3CCOCC3 270004a_100015191051_100000692104 [0,2,0,0,0,0|2,0,0]=4 2127 B20R3.277680 Cn1c(nc2c1ccc(c2)Cl)CN3CCOCC3 34a_100015191051_100000741338 [0,2,0,0,0,0|2,0,0]=4 2128 B20R3.13411 C[C@H]1COCCN1Cc2cc3c(cccc3s2)Br 270004a_100009815349_100010109917 [0,2,0,0,0,0|2,0,0]=4 2129 B20R3.13411 C[C@H]1COCCN1Cc2cc3c(cccc3s2)Cl 270004a_100009815349_100000117544 [0,2,0,0,0,0|2,0,0]=4 2130 B20R3.13411 C[C@H]1COCCN1Cc2cc3cccc(c3s2)Br 270004a_100009815349_100010110135 [0,2,0,0,0,0|2,0,0]=4 2131 B20R3.13411 Cc1cccc2c1nc(o2)CN3CCOC[C@@H]3C 2230a_100009815349_100011397728 [0,2,0,0,0,0|1,1,0]=4 2132 B20R3.13411 Cc1cccc2c1nc(o2)CN3CCOC[C@@H]3C 269982a_100009815349_100011397728 [0,2,0,0,0,0|1,1,0]=4 2133 B20R3.13411 Cc1cccc2c1nc(o2)CN3CCOC[C@@H]3C 34a_100009815349_100011397728 [0,2,0,0,0,0|1,1,0]=4 2134 B20R3.13411 Cc1cccc2c1nc(s2)N[C@@H]3CCOC[C@@H]3O 27a_100016994285_100010008827 [0,2,0,0,0,0|2,0,0]=4 2135 B20R3.13411 Cc1cccc2c1nc(s2)N[C@H]3CCOC[C@@H]3F 27a_100016994078_100010008827 [0,2,0,0,0,0|2,0,0]=4 2136 B20R3.13411 Cc1cccc2c1nc(s2)SC3CCCCC3F 62a_100015423560_100010008827 [0,2,0,0,0,0|2,0,0]=4 2137 B20R3.13411 Cc1cccc2c1nc(s2)SC3CCCCC3O 62a_100000038908_100010008827 [0,2,0,0,0,0|2,0,0]=4 2138 B20R3.13411 Fc1cccc2c1nc(s2)N[C@H]3CCOC[C@@H]3F 27a_100016994078_100010008856 [0,2,0,0,0,0|2,0,0]=4 2139 B20R3.13411 Fc1cccc2c1nc(s2)SC3CCCCC3F 62a_100015423560_100010008856 [0,2,0,0,0,0|2,0,0]=4 2140 B20R3.13411 OC1CCCCC1Sc2nc3c(cccc3s2)F 62a_100000038908_100010008856 [0,2,0,0,0,0|2,0,0]=4 2141 B20R3.13411 O[C@H]1COCC[C@H]1Nc2nc3c(cccc3s2)F 27a_100016994285_100010008856 [0,2,0,0,0,0|2,0,0]=4 2142 B20R3.22247 COc1cccc2c1nc(s2)NC3CCOCC3 27a_100000741149_100010195968 [0,2,0,0,0,0|2,0,0]=4 2143 B20R3.94159 Cc1ccc2nc([nH]c2c1C)CN3CCOCC3 2230a_100015191051_200011935217 [0,2,0,0,0,0|2,0,0]=4 2144 B20R3.94159 Cc1ccc2nc([nH]c2c1C)CN3CCOCC3 269982a_100015191051_200011935217 [0,2,0,0,0,0|2,0,0]=4 2145 B20R3.94159 Cc1ccc2nc([nH]c2c1C)CN3CCOCC3 34a_100015191051_200011935217 [0,2,0,0,0,0|2,0,0]=4 2146 B20R3.248087 CN(c1nc2c(cccc2s1)F)C3CCOCC3 27a_100020587155_100010008856 [0,2,0,0,0,0|2,0,0]=4 2147 B20R3.248087 Cc1cccc2c1nc(s2)N(C)C3CCOCC3 27a_100020587155_100010008827 [0,2,0,0,0,0|2,0,0]=4 2148 B20R3.298888 CC1CN(CCO1)Cc2cc3c(cccc3s2)Br 270004a_100000729577_100010109917 [0,2,0,0,0,0|2,0,0]=4 2149 B20R3.298888 CC1CN(CCO1)Cc2cc3c(cccc3s2)Cl 270004a_100000729577_100000117544 [0,2,0,0,0,0|2,0,0]=4 2150 B20R3.298888 CC1CN(CCO1)Cc2cc3cccc(c3s2)Br 270004a_100000729577_100010110135 [0,2,0,0,0,0|2,0,0]=4 2151 B20R3.298888 Cc1cccc2c1nc(o2)CN3CCOC(C3)C 2230a_100000729577_100011397728 [0,2,0,0,0,0|1,1,0]=4 2152 B20R3.298888 Cc1cccc2c1nc(o2)CN3CCOC(C3)C 269982a_100000729577_100011397728 [0,2,0,0,0,0|1,1,0]=4 2153 B20R3.298888 Cc1cccc2c1nc(o2)CN3CCOC(C3)C 34a_100000729577_100011397728 [0,2,0,0,0,0|1,1,0]=4 2154 B20R3.298888 Cc1cccc2c1nc(o2)CN3CCOC(C3)O 2230a_100000688207_100011397728 [0,2,0,0,0,0|1,1,0]=4 2155 B20R3.298888 Cc1cccc2c1nc(o2)CN3CCOC(C3)O 269982a_100000688207_100011397728 [0,2,0,0,0,0|1,1,0]=4 2156 B20R3.298888 OC1CN(CCO1)Cc2cc3c(cccc3s2)Br 270004a_100000688207_100010109917 [0,2,0,0,0,0|2,0,0]=4 2157 B20R3.298888 OC1CN(CCO1)Cc2cc3c(cccc3s2)Cl 270004a_100000688207_100000117544 [0,2,0,0,0,0|2,0,0]=4 2158 B20R3.298888 OC1CN(CCO1)Cc2cc3cccc(c3s2)Br 270004a_100000688207_100010110135 [0,2,0,0,0,0|2,0,0]=4 2159 B20R3.19571622 CC1(CCOCC1)Nc2nc3c(cccc3s2)F 27a_100000692449_100010008856 [0,2,0,0,0,0|2,0,0]=4 2160 B20R3.19571622 Cc1cccc2c1nc(s2)NC3(CCOCC3)C 27a_100000692449_100010008827 [0,2,0,0,0,0|2,0,0]=4 2161 B20R3.5147 CC1CC(CN(C1)Cc2nc3ccccc3s2)C 2230a_100000210448_100000766747 [0,2,0,0,0,0|2,0,0]=4 2162 B20R3.5147 CC1CC(CN(C1)Cc2nc3ccccc3s2)C 269982a_100000210448_100011217541 [0,2,0,0,0,0|2,0,0]=4 2163 B20R3.5147 CC1CC(CN(C1)Cc2nc3ccccc3s2)C 270004a_100000210448_100011204187 [0,2,0,0,0,0|2,0,0]=4 2164 B20R3.5147 CC1CC(CN(C1)Cc2nc3ccccc3s2)C 34a_100000210448_100011217541 [0,2,0,0,0,0|2,0,0]=4 2165 B20R3.5147 CC1CN(CC(O1)C)Cc2cc3ccccc3s2 270004a_100000210032_100000686906 [0,2,0,0,0,0|2,0,0]=4 2166 B20R3.5147 CC1CN(CC(O1)C)Cc2nc3ccccc3[nH]2 2230a_100000210032_100000737899 [0,2,0,0,0,0|2,0,0]=4 2167 B20R3.5147 CC1CN(CC(O1)C)Cc2nc3ccccc3[nH]2 269982a_100000210032_100000737899 [0,2,0,0,0,0|2,0,0]=4 2168 B20R3.5147 CC1CN(CC(O1)C)Cc2nc3ccccc3[nH]2 270004a_100000210032_100000185668 [0,2,0,0,0,0|2,0,0]=4 2169 B20R3.5147 CC1CN(CC(O1)C)Cc2nc3ccccc3o2 2230a_100000210032_100000195508 [0,2,0,0,0,0|1,1,0]=4 2170 B20R3.5147 CC1CN(CC(O1)C)Cc2nc3ccccc3o2 34a_100000210032_200012361514 [0,2,0,0,0,0|1,1,0]=4 2171 B20R3.5147 CC1CN(CC(O1)C)Cc2nc3ccccc3s2 2230a_100000210032_100000766747 [0,2,0,0,0,0|1,0,0]=3 2172 B20R3.5147 CC1CN(CC(O1)C)Cc2nc3ccccc3s2 269982a_100000210032_100011217541 [0,2,0,0,0,0|1,0,0]=3 2173 B20R3.5147 CC1CN(CC(O1)C)Cc2nc3ccccc3s2 270004a_100000210032_100011204187 [0,2,0,0,0,0|1,0,0]=3 2174 B20R3.5147 CC1CN(CC(O1)C)Cc2nc3ccccc3s2 34a_100000210032_100011217541 [0,2,0,0,0,0|1,0,0]=3 2175 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2cc3ccccc3s2 270004a_100016991869_100000686906 [0,2,0,0,0,0|2,0,0]=4 2176 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2nc3ccccc3[nH]2 2230a_100016991869_100000737899 [0,2,0,0,0,0|2,0,0]=4 2177 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2nc3ccccc3[nH]2 269982a_100016991869_100000737899 [0,2,0,0,0,0|2,0,0]=4 2178 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2nc3ccccc3[nH]2 270004a_100016991869_100000185668 [0,2,0,0,0,0|2,0,0]=4 2179 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2nc3ccccc3o2 2230a_100016991869_100000195508 [0,2,0,0,0,0|1,1,0]=4 2180 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2nc3ccccc3o2 34a_100016991869_200012361514 [0,2,0,0,0,0|1,1,0]=4 2181 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2nc3ccccc3s2 2230a_100016991869_100000766747 [0,2,0,0,0,0|1,0,0]=3 2182 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2nc3ccccc3s2 269982a_100016991869_100011217541 [0,2,0,0,0,0|1,0,0]=3 2183 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2nc3ccccc3s2 270004a_100016991869_100011204187 [0,2,0,0,0,0|1,0,0]=3 2184 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2nc3ccccc3s2 34a_100016991869_100011217541 [0,2,0,0,0,0|1,0,0]=3 2185 B20R3.41528 C#CC1CCCN(C1)Cc2nc3ccccc3s2 2230a_100015191679_100000766747 [0,2,0,0,0,0|2,0,0]=4 2186 B20R3.41528 C#CC1CCCN(C1)Cc2nc3ccccc3s2 269982a_100015191679_100011217541 [0,2,0,0,0,0|2,0,0]=4 2187 B20R3.41528 C#CC1CCCN(C1)Cc2nc3ccccc3s2 270004a_100015191679_100011204187 [0,2,0,0,0,0|2,0,0]=4 2188 B20R3.41528 C#CC1CCCN(C1)Cc2nc3ccccc3s2 34a_100015191679_100011217541 [0,2,0,0,0,0|2,0,0]=4 2189 B20R3.41528 CCC1CN(CCO1)Cc2cc3ccccc3s2 270004a_100000736320_100000686906 [0,2,0,0,0,0|2,0,0]=4 2190 B20R3.41528 CCC1CN(CCO1)Cc2nc3ccccc3[nH]2 2230a_100000736320_100000737899 [0,2,0,0,0,0|2,0,0]=4 2191 B20R3.41528 CCC1CN(CCO1)Cc2nc3ccccc3[nH]2 269982a_100000736320_100000737899 [0,2,0,0,0,0|2,0,0]=4 2192 B20R3.41528 CCC1CN(CCO1)Cc2nc3ccccc3[nH]2 270004a_100000736320_100000185668 [0,2,0,0,0,0|2,0,0]=4 2193 B20R3.41528 CCC1CN(CCO1)Cc2nc3ccccc3o2 2230a_100000736320_100000195508 [0,2,0,0,0,0|1,1,0]=4 2194 B20R3.41528 CCC1CN(CCO1)Cc2nc3ccccc3o2 34a_100000736320_200012361514 [0,2,0,0,0,0|1,1,0]=4 2195 B20R3.41528 CCC1CN(CCO1)Cc2nc3ccccc3s2 2230a_100000736320_100000766747 [0,2,0,0,0,0|1,0,0]=3 2196 B20R3.41528 CCC1CN(CCO1)Cc2nc3ccccc3s2 269982a_100000736320_100011217541 [0,2,0,0,0,0|1,0,0]=3 2197 B20R3.41528 CCC1CN(CCO1)Cc2nc3ccccc3s2 270004a_100000736320_100011204187 [0,2,0,0,0,0|1,0,0]=3 2198 B20R3.41528 CCC1CN(CCO1)Cc2nc3ccccc3s2 34a_100000736320_100011217541 [0,2,0,0,0,0|1,0,0]=3 2199 B20R3.41528 COC1CCCN(C1)Cc2nc3ccccc3s2 2230a_100000695604_100000766747 [0,2,0,0,0,0|2,0,0]=4 2200 B20R3.41528 COC1CCCN(C1)Cc2nc3ccccc3s2 269982a_100000695604_100011217541 [0,2,0,0,0,0|2,0,0]=4 2201 B20R3.41528 COC1CCCN(C1)Cc2nc3ccccc3s2 270004a_100000695604_100011204187 [0,2,0,0,0,0|2,0,0]=4 2202 B20R3.41528 COC1CCCN(C1)Cc2nc3ccccc3s2 34a_100000695604_100011217541 [0,2,0,0,0,0|2,0,0]=4 2203 B20R3.41528 FCC1CCCN(C1)Cc2nc3ccccc3s2 2230a_100016992999_100000766747 [0,2,0,0,0,0|2,0,0]=4 2204 B20R3.41528 FCC1CCCN(C1)Cc2nc3ccccc3s2 269982a_100016992999_100011217541 [0,2,0,0,0,0|2,0,0]=4 2205 B20R3.41528 FCC1CCCN(C1)Cc2nc3ccccc3s2 270004a_100016992999_100011204187 [0,2,0,0,0,0|2,0,0]=4 2206 B20R3.41528 FCC1CCCN(C1)Cc2nc3ccccc3s2 34a_100016992999_100011217541 [0,2,0,0,0,0|2,0,0]=4 2207 B20R3.41528 N#CC1CCCN(C1)Cc2nc3ccccc3s2 2230a_100016989302_100000766747 [0,2,0,0,0,0|2,0,0]=4 2208 B20R3.41528 N#CC1CCCN(C1)Cc2nc3ccccc3s2 269982a_206835378768_100011217541 [0,2,0,0,0,0|2,0,0]=4 2209 B20R3.41528 N#CC1CCCN(C1)Cc2nc3ccccc3s2 270004a_100016989302_100011204187 [0,2,0,0,0,0|2,0,0]=4 2210 B20R3.41528 N#CC1CN(CCO1)Cc2cc3ccccc3s2 270004a_100000752543_100000686906 [0,2,0,0,0,0|2,0,0]=4 2211 B20R3.41528 N#CC1CN(CCO1)Cc2nc3ccccc3[nH]2 2230a_100000752543_100000737899 [0,2,0,0,0,0|2,0,0]=4 2212 B20R3.41528 N#CC1CN(CCO1)Cc2nc3ccccc3[nH]2 270004a_100000752543_100000185668 [0,2,0,0,0,0|2,0,0]=4 2213 B20R3.41528 N#CC1CN(CCO1)Cc2nc3ccccc3o2 2230a_100000752543_100000195508 [0,2,0,0,0,0|1,1,0]=4 2214 B20R3.41528 N#CC1CN(CCO1)Cc2nc3ccccc3o2 34a_100000752543_200012361514 [0,2,0,0,0,0|1,1,0]=4 2215 B20R3.41528 N#CC1CN(CCO1)Cc2nc3ccccc3s2 2230a_100000752543_100000766747 [0,2,0,0,0,0|1,0,0]=3 2216 B20R3.41528 N#CC1CN(CCO1)Cc2nc3ccccc3s2 270004a_100000752543_100011204187 [0,2,0,0,0,0|1,0,0]=3 2217 B20R3.41528 N#CC1CN(CCO1)Cc2nc3ccccc3s2 34a_100000752543_100011217541 [0,2,0,0,0,0|1,0,0]=3 2218 B20R3.41528 OCC1CCCN(C1)Cc2nc3ccccc3s2 2230a_100000211344_100000766747 [0,2,0,0,0,0|2,0,0]=4 2219 B20R3.41528 OCC1CCCN(C1)Cc2nc3ccccc3s2 269982a_100000211344_100011217541 [0,2,0,0,0,0|2,0,0]=4 2220 B20R3.41528 OCC1CCCN(C1)Cc2nc3ccccc3s2 270004a_100000211344_100011204187 [0,2,0,0,0,0|2,0,0]=4 2221 B20R3.41528 OCC1CCCN(C1)Cc2nc3ccccc3s2 34a_100000211344_100011217541 [0,2,0,0,0,0|2,0,0]=4 2222 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2cc3ccccc3s2 270004a_100015189573_100000686906 [0,2,0,0,0,0|2,0,0]=4 2223 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3[nH]2 2230a_100015189573_100000737899 [0,2,0,0,0,0|2,0,0]=4 2224 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3[nH]2 269982a_100015189573_100000737899 [0,2,0,0,0,0|2,0,0]=4 2225 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3[nH]2 270004a_100015189573_100000185668 [0,2,0,0,0,0|2,0,0]=4 2226 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3o2 2230a_100015189573_100000195508 [0,2,0,0,0,0|1,1,0]=4 2227 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3o2 34a_100015189573_200012361514 [0,2,0,0,0,0|1,1,0]=4 2228 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3s2 2230a_100015189573_100000766747 [0,2,0,0,0,0|1,0,0]=3 2229 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3s2 269982a_100015189573_100011217541 [0,2,0,0,0,0|1,0,0]=3 2230 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3s2 270004a_100015189573_100011204187 [0,2,0,0,0,0|1,0,0]=3 2231 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3s2 34a_100015189573_100011217541 [0,2,0,0,0,0|1,0,0]=3 2232 B20R3.137796 CC1(CC(CCO1)Nc2nc3ccccc3s2)C 27a_100000696200_100000751744 [0,2,0,0,0,0|2,0,0]=4 2233 B20R3.137796 CC1(CC(CCO1)Sc2cc3ccccc3s2)C 62a_100010191092_100009816949 [0,2,0,0,0,0|2,0,0]=4 2234 B20R3.137796 CC1(CC(CCO1)Sc2nc3ccccc3[nH]2)C 62a_100010191092_100009814255 [0,2,0,0,0,0|2,0,0]=4 2235 B20R3.137796 CC1(CC(CCO1)Sc2nc3ccccc3s2)C 62a_100010191092_100000751744 [0,2,0,0,0,0|1,0,0]=3 2236 B20R3.137796 CC1(CC(CCO1)Sc2nc3cccnc3s2)C 62a_100010188088_100010191092 [0,2,0,0,0,0|2,0,0]=4 2237 B20R3.137796 CC1(CC(CCO1)Sc2nc3cccnc3s2)C 62a_100010191092_100010188088 [0,2,0,0,0,0|2,0,0]=4 2238 B20R3.137796 CC1(CCCN(C1)Cc2nc3ccccc3s2)C 2230a_100000716857_100000766747 [0,2,0,0,0,0|2,0,0]=4 2239 B20R3.137796 CC1(CCCN(C1)Cc2nc3ccccc3s2)C 269982a_100000716857_100011217541 [0,2,0,0,0,0|2,0,0]=4 2240 B20R3.137796 CC1(CCCN(C1)Cc2nc3ccccc3s2)C 270004a_100000716857_100011204187 [0,2,0,0,0,0|2,0,0]=4 2241 B20R3.137796 CC1(CCCN(C1)Cc2nc3ccccc3s2)C 34a_100000716857_100011217541 [0,2,0,0,0,0|2,0,0]=4 2242 B20R3.137796 CC1(CCCN(C1)Cc2nc3ccccc3s2)O 2230a_100000695535_100000766747 [0,2,0,0,0,0|2,0,0]=4 2243 B20R3.137796 CC1(CCCN(C1)Cc2nc3ccccc3s2)O 269982a_100000695535_100011217541 [0,2,0,0,0,0|2,0,0]=4 2244 B20R3.137796 CC1(CCCN(C1)Cc2nc3ccccc3s2)O 270004a_100000695535_100011204187 [0,2,0,0,0,0|2,0,0]=4 2245 B20R3.137796 CC1(CN(CCO1)Cc2cc3ccccc3s2)C 270004a_100000738910_100000686906 [0,2,0,0,0,0|2,0,0]=4 2246 B20R3.137796 CC1(CN(CCO1)Cc2nc3ccccc3[nH]2)C 2230a_100000738910_100000737899 [0,2,0,0,0,0|2,0,0]=4 2247 B20R3.137796 CC1(CN(CCO1)Cc2nc3ccccc3[nH]2)C 269982a_100000738910_100000737899 [0,2,0,0,0,0|2,0,0]=4 2248 B20R3.137796 CC1(CN(CCO1)Cc2nc3ccccc3[nH]2)C 270004a_100000738910_100000185668 [0,2,0,0,0,0|2,0,0]=4 2249 B20R3.137796 CC1(CN(CCO1)Cc2nc3ccccc3o2)C 2230a_100000738910_100000195508 [0,2,0,0,0,0|1,1,0]=4 2250 B20R3.137796 CC1(CN(CCO1)Cc2nc3ccccc3o2)C 34a_100000738910_200012361514 [0,2,0,0,0,0|1,1,0]=4 2251 B20R3.137796 CC1(CN(CCO1)Cc2nc3ccccc3s2)C 2230a_100000738910_100000766747 [0,2,0,0,0,0|1,0,0]=3 2252 B20R3.137796 CC1(CN(CCO1)Cc2nc3ccccc3s2)C 269982a_100000738910_100011217541 [0,2,0,0,0,0|1,0,0]=3 2253 B20R3.137796 CC1(CN(CCO1)Cc2nc3ccccc3s2)C 270004a_100000738910_100011204187 [0,2,0,0,0,0|1,0,0]=3 2254 B20R3.137796 CC1(CN(CCO1)Cc2nc3ccccc3s2)C 34a_100000738910_100011217541 [0,2,0,0,0,0|1,0,0]=3 2255 B20R3.137796 FC1(CCCN(C1)Cc2nc3ccccc3s2)F 2230a_100000732682_100000766747 [0,2,0,0,0,0|2,0,0]=4 2256 B20R3.137796 FC1(CCCN(C1)Cc2nc3ccccc3s2)F 269982a_100000732682_100011217541 [0,2,0,0,0,0|2,0,0]=4 2257 B20R3.137796 FC1(CCCN(C1)Cc2nc3ccccc3s2)F 270004a_100000732682_100011204187 [0,2,0,0,0,0|2,0,0]=4 2258 B20R3.137796 FC1(CCCN(C1)Cc2nc3ccccc3s2)F 34a_100000732682_100011217541 [0,2,0,0,0,0|2,0,0]=4 2259 B20R3.298887 CC1CN(CCO1)Cc2cc3cc(ccc3s2)Br 270004a_100000729577_100010238522 [0,2,0,0,0,0|2,0,0]=4 2260 B20R3.298887 CC1CN(CCO1)Cc2cc3cc(ccc3s2)Cl 270004a_100000729577_200000119088 [0,2,0,0,0,0|2,0,0]=4 2261 B20R3.298887 CC1CN(CCO1)Cc2cc3ccc(cc3s2)Br 270004a_100000729577_100009814784 [0,2,0,0,0,0|2,0,0]=4 2262 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)Br 2230a_100000729577_100000701424 [0,2,0,0,0,0|2,0,0]=4 2263 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)Br 269982a_100000729577_100000701424 [0,2,0,0,0,0|2,0,0]=4 2264 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)Br 34a_100000729577_100000701424 [0,2,0,0,0,0|2,0,0]=4 2265 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)Cl 2230a_100000729577_100000179801 [0,2,0,0,0,0|2,0,0]=4 2266 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)Cl 269982a_100000729577_100000179801 [0,2,0,0,0,0|2,0,0]=4 2267 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)F 270004a_100000729577_200011915233 [0,2,0,0,0,0|2,0,0]=4 2268 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3o2)Br 2230a_100000729577_100000730559 [0,2,0,0,0,0|1,1,0]=4 2269 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3o2)Br 34a_100000729577_100000730559 [0,2,0,0,0,0|1,1,0]=4 2270 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3o2)Cl 2230a_100000729577_100011222916 [0,2,0,0,0,0|1,1,0]=4 2271 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3o2)Cl 269982a_100000729577_100011222916 [0,2,0,0,0,0|1,1,0]=4 2272 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3o2)F 2230a_100000729577_100000687093 [0,2,0,0,0,0|1,1,0]=4 2273 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3o2)F 269982a_100000729577_100000687093 [0,2,0,0,0,0|1,1,0]=4 2274 B20R3.298887 CC1CN(CCO1)Cc2nc3cc(ccc3o2)F 34a_100000729577_100000687093 [0,2,0,0,0,0|1,1,0]=4 2275 B20R3.298887 CC1CN(CCO1)Cc2nc3ccc(cc3[nH]2)Br 270004a_100000729577_200011361486 [0,2,0,0,0,0|2,0,0]=4 2276 B20R3.298887 CC1CN(CCO1)Cc2nc3ccc(cc3[nH]2)F 2230a_100000729577_200011347187 [0,2,0,0,0,0|2,0,0]=4 2277 B20R3.298887 CC1CN(CCO1)Cc2nc3ccc(cc3[nH]2)F 269982a_100000729577_200011347187 [0,2,0,0,0,0|2,0,0]=4 2278 B20R3.298887 CC1CN(CCO1)Cc2nc3ccc(cc3o2)Br 2230a_100000729577_100000729449 [0,2,0,0,0,0|1,1,0]=4 2279 B20R3.298887 CC1CN(CCO1)Cc2nc3ccc(cc3o2)Br 34a_100000729577_100000729449 [0,2,0,0,0,0|1,1,0]=4 2280 B20R3.298887 CC1CN(CCO1)Cc2nc3ccc(cc3o2)F 2230a_100000729577_100000687025 [0,2,0,0,0,0|1,1,0]=4 2281 B20R3.298887 CC1CN(CCO1)Cc2nc3ccc(cc3o2)F 269982a_100000729577_100000687025 [0,2,0,0,0,0|1,1,0]=4 2282 B20R3.298887 CC1CN(CCO1)Cc2nc3ccc(cc3o2)F 34a_100000729577_100000687025 [0,2,0,0,0,0|1,1,0]=4 2283 B20R3.298887 Cc1ccc2nc([nH]c2c1)CN3CCOC(C3)C 2230a_100000729577_100020603265 [0,2,0,0,0,0|2,0,0]=4 2284 B20R3.298887 Cc1ccc2nc([nH]c2c1)CN3CCOC(C3)C 269982a_100000729577_100020603265 [0,2,0,0,0,0|2,0,0]=4 2285 B20R3.298887 Cc1ccc2nc([nH]c2c1)CN3CCOC(C3)C 34a_100000729577_100020603265 [0,2,0,0,0,0|2,0,0]=4 2286 B20R3.298887 Cc1ccc2nc([nH]c2c1)CN3CCOC(C3)O 2230a_100000688207_100020603265 [0,2,0,0,0,0|2,0,0]=4 2287 B20R3.298887 Cc1ccc2nc([nH]c2c1)CN3CCOC(C3)O 269982a_100000688207_100020603265 [0,2,0,0,0,0|2,0,0]=4 2288 B20R3.298887 Cc1ccc2nc(oc2c1)CN3CCOC(C3)C 2230a_100000729577_100011295139 [0,2,0,0,0,0|1,1,0]=4 2289 B20R3.298887 Cc1ccc2nc(oc2c1)CN3CCOC(C3)C 269982a_100000729577_100011295139 [0,2,0,0,0,0|1,1,0]=4 2290 B20R3.298887 Cc1ccc2nc(oc2c1)CN3CCOC(C3)C 34a_100000729577_100011295139 [0,2,0,0,0,0|1,1,0]=4 2291 B20R3.298887 Cc1ccc2nc(oc2c1)CN3CCOC(C3)O 2230a_100000688207_100011295139 [0,2,0,0,0,0|1,1,0]=4 2292 B20R3.298887 Cc1ccc2nc(oc2c1)CN3CCOC(C3)O 269982a_100000688207_100011295139 [0,2,0,0,0,0|1,1,0]=4 2293 B20R3.298887 Cc1ccc2oc(nc2c1)CN3CCOC(C3)C 2230a_100000729577_100011374149 [0,2,0,0,0,0|1,1,0]=4 2294 B20R3.298887 Cc1ccc2oc(nc2c1)CN3CCOC(C3)C 269982a_100000729577_100011374149 [0,2,0,0,0,0|1,1,0]=4 2295 B20R3.298887 Cc1ccc2oc(nc2c1)CN3CCOC(C3)C 34a_100000729577_100011374149 [0,2,0,0,0,0|1,1,0]=4 2296 B20R3.298887 Cc1ccc2oc(nc2c1)CN3CCOC(C3)O 2230a_100000688207_100011374149 [0,2,0,0,0,0|1,1,0]=4 2297 B20R3.298887 Cc1ccc2oc(nc2c1)CN3CCOC(C3)O 269982a_100000688207_100011374149 [0,2,0,0,0,0|1,1,0]=4 2298 B20R3.298887 Cc1ccc2sc(cc2c1)CN3CCOC(C3)C 270004a_100000729577_100000050833 [0,2,0,0,0,0|2,0,0]=4 2299 B20R3.298887 Cc1ccc2sc(cc2c1)CN3CCOC(C3)O 270004a_100000688207_100000050833 [0,2,0,0,0,0|2,0,0]=4 2300 B20R3.298887 OC1CN(CCO1)Cc2cc3cc(ccc3s2)Br 270004a_100000688207_100010238522 [0,2,0,0,0,0|2,0,0]=4 2301 B20R3.298887 OC1CN(CCO1)Cc2cc3cc(ccc3s2)Cl 270004a_100000688207_200000119088 [0,2,0,0,0,0|2,0,0]=4 2302 B20R3.298887 OC1CN(CCO1)Cc2cc3ccc(cc3s2)Br 270004a_100000688207_100009814784 [0,2,0,0,0,0|2,0,0]=4 2303 B20R3.298887 OC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)Br 2230a_100000688207_100000701424 [0,2,0,0,0,0|2,0,0]=4 2304 B20R3.298887 OC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)Br 269982a_100000688207_100000701424 [0,2,0,0,0,0|2,0,0]=4 2305 B20R3.298887 OC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)Cl 2230a_100000688207_100000179801 [0,2,0,0,0,0|2,0,0]=4 2306 B20R3.298887 OC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)Cl 269982a_100000688207_100000179801 [0,2,0,0,0,0|2,0,0]=4 2307 B20R3.298887 OC1CN(CCO1)Cc2nc3cc(ccc3[nH]2)F 270004a_100000688207_200011915233 [0,2,0,0,0,0|2,0,0]=4 2308 B20R3.298887 OC1CN(CCO1)Cc2nc3cc(ccc3o2)Br 2230a_100000688207_100000730559 [0,2,0,0,0,0|1,1,0]=4 2309 B20R3.298887 OC1CN(CCO1)Cc2nc3cc(ccc3o2)Cl 2230a_100000688207_100011222916 [0,2,0,0,0,0|1,1,0]=4 2310 B20R3.298887 OC1CN(CCO1)Cc2nc3cc(ccc3o2)Cl 269982a_100000688207_100011222916 [0,2,0,0,0,0|1,1,0]=4 2311 B20R3.298887 OC1CN(CCO1)Cc2nc3cc(ccc3o2)F 2230a_100000688207_100000687093 [0,2,0,0,0,0|1,1,0]=4 2312 B20R3.298887 OC1CN(CCO1)Cc2nc3cc(ccc3o2)F 269982a_100000688207_100000687093 [0,2,0,0,0,0|1,1,0]=4 2313 B20R3.298887 OC1CN(CCO1)Cc2nc3ccc(cc3[nH]2)Br 270004a_100000688207_200011361486 [0,2,0,0,0,0|2,0,0]=4 2314 B20R3.298887 OC1CN(CCO1)Cc2nc3ccc(cc3[nH]2)F 2230a_100000688207_200011347187 [0,2,0,0,0,0|2,0,0]=4 2315 B20R3.298887 OC1CN(CCO1)Cc2nc3ccc(cc3[nH]2)F 269982a_100000688207_200011347187 [0,2,0,0,0,0|2,0,0]=4 2316 B20R3.298887 OC1CN(CCO1)Cc2nc3ccc(cc3o2)Br 2230a_100000688207_100000729449 [0,2,0,0,0,0|1,1,0]=4 2317 B20R3.298887 OC1CN(CCO1)Cc2nc3ccc(cc3o2)F 2230a_100000688207_100000687025 [0,2,0,0,0,0|1,1,0]=4 2318 B20R3.298887 OC1CN(CCO1)Cc2nc3ccc(cc3o2)F 269982a_100000688207_100000687025 [0,2,0,0,0,0|1,1,0]=4 2319 B20R3.404536 CC1CCN(CC1O)Cc2nc3ccccc3s2 2230a_100000696640_100000766747 [0,2,0,0,0,0|2,0,0]=4 2320 B20R3.404536 CC1CCN(CC1O)Cc2nc3ccccc3s2 269982a_100000696640_100011217541 [0,2,0,0,0,0|2,0,0]=4 2321 B20R3.404536 CC1CCN(CC1O)Cc2nc3ccccc3s2 270004a_100000696640_100011204187 [0,2,0,0,0,0|2,0,0]=4 2322 B20R3.404536 CC1CN(CCC1O)Cc2nc3ccccc3s2 2230a_100011998114_100000766747 [0,2,0,0,0,0|2,0,0]=4 2323 B20R3.404536 CC1CN(CCC1O)Cc2nc3ccccc3s2 269982a_100011998114_100011217541 [0,2,0,0,0,0|2,0,0]=4 2324 B20R3.404536 C[C@H]1CN(CCN1C)Cc2nc3ccccc3s2 2230a_100020603432_100000766747 [0,2,0,0,0,0|2,0,0]=4 2325 B20R3.404536 C[C@H]1CN(CCN1C)Cc2nc3ccccc3s2 269982a_100020603432_100011217541 [0,2,0,0,0,0|2,0,0]=4 2326 B20R3.404536 C[C@H]1CN(CCN1C)Cc2nc3ccccc3s2 270004a_100020603432_100011204187 [0,2,0,0,0,0|2,0,0]=4 2327 B20R3.404536 O[C@@H]1CCN(C[C@@H]1F)Cc2nc3ccccc3s2 2230a_200016994291_100000766747 [0,2,0,0,0,0|2,0,0]=4 2328 B20R3.404536 O[C@@H]1CCN(C[C@@H]1F)Cc2nc3ccccc3s2 269982a_200016994291_100011217541 [0,2,0,0,0,0|2,0,0]=4 2329 B20R3.404536 O[C@@H]1CCN(C[C@@H]1F)Cc2nc3ccccc3s2 270004a_200016994291_100011204187 [0,2,0,0,0,0|2,0,0]=4 2330 B20R3.404536 O[C@@H]1CCN(C[C@@H]1O)Cc2nc3ccccc3s2 2230a_100000690696_100000766747 [0,2,0,0,0,0|2,0,0]=4 2331 B20R3.404536 O[C@@H]1CCN(C[C@@H]1O)Cc2nc3ccccc3s2 269982a_100000690696_100011217541 [0,2,0,0,0,0|2,0,0]=4 2332 B20R3.404536 O[C@@H]1CCN(C[C@@H]1O)Cc2nc3ccccc3s2 270004a_100000690696_100011204187 [0,2,0,0,0,0|2,0,0]=4 2333 B20R3.4835143 CC(c1nc2ccccc2[nH]1)N3CCOC(C3)O 270004a_100000688207_100000199114 [0,2,0,0,0,0|2,0,0]=4 2334 B20R3.4835143 CC1CN(CCO1)C(C)c2nc3ccccc3[nH]2 270004a_100000729577_100000199114 [0,2,0,0,0,0|2,0,0]=4 2335 B20R3.14231 Clc1cc2nc([nH]c2cc1Cl)CN3CCOCC3 2230a_100015191051_100012557037 [0,2,0,0,0,0|2,0,0]=4 2336 B20R3.14231 Clc1cc2nc([nH]c2cc1Cl)CN3CCOCC3 269982a_100015191051_100012557037 [0,2,0,0,0,0|2,0,0]=4 2337 B20R3.14231 Fc1cc2nc([nH]c2cc1F)CN3CCOCC3 2230a_100015191051_100000736236 [0,2,0,0,0,0|2,0,0]=4 2338 B20R3.14231 Fc1cc2nc([nH]c2cc1F)CN3CCOCC3 269982a_100015191051_100000736236 [0,2,0,0,0,0|2,0,0]=4 2339 B20R3.14231 Fc1cc2nc([nH]c2cc1F)CN3CCOCC3 34a_100015191051_100000736236 [0,2,0,0,0,0|2,0,0]=4 2340 B20R3.19872 CC1CCC(CC1)Sc2nc3cc(ccc3s2)F 62a_200010206605_200011216234 [0,2,0,0,0,0|2,0,0]=4 2341 B20R3.19872 CC1CCC(CC1)Sc2nc3cc(ccc3s2)N 62a_100010329861_200011216234 [0,2,0,0,0,0|2,0,0]=4 2342 B20R3.19872 CC1CCC(CC1)Sc2nc3ccc(cc3s2)F 62a_100000751617_200011216234 [0,2,0,0,0,0|2,0,0]=4 2343 B20R3.19872 CC1CCC(CC1)Sc2nc3ccc(cc3s2)N 62a_100010253933_200011216234 [0,2,0,0,0,0|2,0,0]=4 2344 B20R3.19872 CN1CCC(CC1)Sc2nc3cc(ccc3s2)F 62a_200010206605_100011215917 [0,2,0,0,0,0|2,0,0]=4 2345 B20R3.19872 CN1CCC(CC1)Sc2nc3cc(ccc3s2)N 62a_100010329861_100011215917 [0,2,0,0,0,0|2,0,0]=4 2346 B20R3.19872 CN1CCC(CC1)Sc2nc3ccc(cc3s2)F 62a_100000751617_100011215917 [0,2,0,0,0,0|2,0,0]=4 2347 B20R3.19872 CN1CCC(CC1)Sc2nc3ccc(cc3s2)N 62a_100010253933_100011215917 [0,2,0,0,0,0|2,0,0]=4 2348 B20R3.94158 CC(c1nc2ccc(cc2[nH]1)Br)N3CCOCC3 270004a_100015191051_200011795181 [0,2,0,0,0,0|2,0,0]=4 2349 B20R3.94158 CN(c1nc2cc(ccc2s1)F)C3CCOCC3 27a_100020587155_200010206605 [0,2,0,0,0,0|2,0,0]=4 2350 B20R3.94158 CN(c1nc2cc(ccc2s1)N)C3CCOCC3 27a_100020587155_100010329861 [0,2,0,0,0,0|2,0,0]=4 2351 B20R3.94158 CN(c1nc2ccc(cc2s1)F)C3CCOCC3 27a_100020587155_100000751617 [0,2,0,0,0,0|2,0,0]=4 2352 B20R3.94158 CN(c1nc2ccc(cc2s1)N)C3CCOCC3 27a_100020587155_100010253933 [0,2,0,0,0,0|2,0,0]=4 2353 B20R3.94158 CN(c1nc2ccc(cc2s1)O)C3CCOCC3 27a_100020587155_100010063415 [0,2,0,0,0,0|2,0,0]=4 2354 B20R3.94158 Cc1ccc2nc([nH]c2c1)C(C)N3CCOCC3 270004a_100015191051_100000754901 [0,2,0,0,0,0|2,0,0]=4 2355 B20R3.94158 Cc1ccc2nc(sc2c1)N(C)C3CCOCC3 27a_100020587155_100010186437 [0,2,0,0,0,0|2,0,0]=4 2356 B20R3.522607 COc1ccc2cc(sc2c1)CN3CCOCC3 270004a_100015191051_100000101954 [0,2,0,0,0,0|2,0,0]=4 2357 B20R3.522607 COc1ccc2nc(oc2c1)CN3CCOCC3 2230a_100015191051_100012001647 [0,2,0,0,0,0|1,1,0]=4 2358 B20R3.522607 COc1ccc2nc(oc2c1)CN3CCOCC3 269982a_100015191051_100012001647 [0,2,0,0,0,0|1,1,0]=4 2359 B20R3.522607 COc1ccc2nc(oc2c1)CN3CCOCC3 34a_100015191051_100012001647 [0,2,0,0,0,0|1,1,0]=4 2360 B20R3.522607 COc1ccc2nc(sc2c1)NC3CCOCC3 27a_100000741149_100010195960 [0,2,0,0,0,0|2,0,0]=4 2361 B20R3.522607 COc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000210327_100010195960 [0,2,0,0,0,0|2,0,0]=4 2362 B20R3.522607 COc1ccc2oc(nc2c1)CN3CCOCC3 2230a_100015191051_100012184194 [0,2,0,0,0,0|1,1,0]=4 2363 B20R3.522607 COc1ccc2oc(nc2c1)CN3CCOCC3 269982a_100015191051_100012184194 [0,2,0,0,0,0|1,1,0]=4 2364 B20R3.522607 COc1ccc2oc(nc2c1)CN3CCOCC3 34a_100015191051_100012184194 [0,2,0,0,0,0|1,1,0]=4 2365 B20R3.522607 COc1ccc2sc(cc2c1)CN3CCOCC3 270004a_100015191051_100000101953 [0,2,0,0,0,0|2,0,0]=4 2366 B20R3.522607 N#Cc1ccc2nc([nH]c2c1)CN3CCOCC3 2230a_100015191051_200000087547 [0,2,0,0,0,0|2,0,0]=4 2367 B20R3.522607 N#Cc1ccc2nc([nH]c2c1)CN3CCOCC3 269982a_100015191051_200000087547 [0,2,0,0,0,0|2,0,0]=4 2368 B20R3.522607 O=Cc1ccc2nc(sc2c1)NC3CCOCC3 27a_100000741149_200010272093 [0,2,0,0,0,0|2,0,0]=4 2369 B20R3.522607 O=Cc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000210327_200010272093 [0,2,0,0,0,0|2,0,0]=4 2370 B20R3.522607 O=Cc1ccc2nc(sc2c1)SC3CCCCC3 62a_200010272093_100000210327 [0,2,0,0,0,0|2,0,0]=4 2371 B20R3.522607 O=Cc1ccc2nc(sc2c1)SC3CCOCC3 62a_200010272093_100011324220 [0,2,0,0,0,0|1,0,0]=3 2372 B20R3.522607 O=Cc1ccc2nc(sc2c1)SC3CCSCC3 62a_200010272093_100000069128 [0,2,0,0,0,0|1,1,0]=4 2373 B20R3.3317099 C[C@H]1COCCN1Cc2cc3cc(ccc3s2)Br 270004a_100009815349_100010238522 [0,2,0,0,0,0|2,0,0]=4 2374 B20R3.3317099 C[C@H]1COCCN1Cc2cc3cc(ccc3s2)Cl 270004a_100009815349_200000119088 [0,2,0,0,0,0|2,0,0]=4 2375 B20R3.3317099 C[C@H]1COCCN1Cc2cc3ccc(cc3s2)Br 270004a_100009815349_100009814784 [0,2,0,0,0,0|2,0,0]=4 2376 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3[nH]2)Br 2230a_100009815349_100000701424 [0,2,0,0,0,0|2,0,0]=4 2377 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3[nH]2)Br 269982a_100009815349_100000701424 [0,2,0,0,0,0|2,0,0]=4 2378 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3[nH]2)Br 34a_100009815349_100000701424 [0,2,0,0,0,0|2,0,0]=4 2379 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3[nH]2)Cl 2230a_100009815349_100000179801 [0,2,0,0,0,0|2,0,0]=4 2380 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3[nH]2)Cl 269982a_100009815349_100000179801 [0,2,0,0,0,0|2,0,0]=4 2381 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3[nH]2)F 270004a_100009815349_200011915233 [0,2,0,0,0,0|2,0,0]=4 2382 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3o2)Br 2230a_100009815349_100000730559 [0,2,0,0,0,0|1,1,0]=4 2383 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3o2)Br 34a_100009815349_100000730559 [0,2,0,0,0,0|1,1,0]=4 2384 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3o2)Cl 2230a_100009815349_100011222916 [0,2,0,0,0,0|1,1,0]=4 2385 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3o2)Cl 269982a_100009815349_100011222916 [0,2,0,0,0,0|1,1,0]=4 2386 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3o2)F 2230a_100009815349_100000687093 [0,2,0,0,0,0|1,1,0]=4 2387 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3o2)F 269982a_100009815349_100000687093 [0,2,0,0,0,0|1,1,0]=4 2388 B20R3.3317099 C[C@H]1COCCN1Cc2nc3cc(ccc3o2)F 34a_100009815349_100000687093 [0,2,0,0,0,0|1,1,0]=4 2389 B20R3.3317099 C[C@H]1COCCN1Cc2nc3ccc(cc3[nH]2)Br 270004a_100009815349_200011361486 [0,2,0,0,0,0|2,0,0]=4 2390 B20R3.3317099 C[C@H]1COCCN1Cc2nc3ccc(cc3[nH]2)F 2230a_100009815349_200011347187 [0,2,0,0,0,0|2,0,0]=4 2391 B20R3.3317099 C[C@H]1COCCN1Cc2nc3ccc(cc3[nH]2)F 269982a_100009815349_200011347187 [0,2,0,0,0,0|2,0,0]=4 2392 B20R3.3317099 C[C@H]1COCCN1Cc2nc3ccc(cc3o2)Br 2230a_100009815349_100000729449 [0,2,0,0,0,0|1,1,0]=4 2393 B20R3.3317099 C[C@H]1COCCN1Cc2nc3ccc(cc3o2)Br 34a_100009815349_100000729449 [0,2,0,0,0,0|1,1,0]=4 2394 B20R3.3317099 C[C@H]1COCCN1Cc2nc3ccc(cc3o2)F 2230a_100009815349_100000687025 [0,2,0,0,0,0|1,1,0]=4 2395 B20R3.3317099 C[C@H]1COCCN1Cc2nc3ccc(cc3o2)F 269982a_100009815349_100000687025 [0,2,0,0,0,0|1,1,0]=4 2396 B20R3.3317099 C[C@H]1COCCN1Cc2nc3ccc(cc3o2)F 34a_100009815349_100000687025 [0,2,0,0,0,0|1,1,0]=4 2397 B20R3.3317099 Cc1ccc2nc([nH]c2c1)CN3CCOC[C@@H]3C 2230a_100009815349_100020603265 [0,2,0,0,0,0|2,0,0]=4 2398 B20R3.3317099 Cc1ccc2nc([nH]c2c1)CN3CCOC[C@@H]3C 269982a_100009815349_100020603265 [0,2,0,0,0,0|2,0,0]=4 2399 B20R3.3317099 Cc1ccc2nc([nH]c2c1)CN3CCOC[C@@H]3C 34a_100009815349_100020603265 [0,2,0,0,0,0|2,0,0]=4 2400 B20R3.3317099 Cc1ccc2nc(oc2c1)CN3CCOC[C@@H]3C 2230a_100009815349_100011295139 [0,2,0,0,0,0|1,1,0]=4 2401 B20R3.3317099 Cc1ccc2nc(oc2c1)CN3CCOC[C@@H]3C 269982a_100009815349_100011295139 [0,2,0,0,0,0|1,1,0]=4 2402 B20R3.3317099 Cc1ccc2nc(oc2c1)CN3CCOC[C@@H]3C 34a_100009815349_100011295139 [0,2,0,0,0,0|1,1,0]=4 2403 B20R3.3317099 Cc1ccc2nc(sc2c1)N[C@@H]3CCOC[C@@H]3O 27a_100016994285_100010186437 [0,2,0,0,0,0|2,0,0]=4 2404 B20R3.3317099 Cc1ccc2nc(sc2c1)N[C@H]3CCOC[C@@H]3F 27a_100016994078_100010186437 [0,2,0,0,0,0|2,0,0]=4 2405 B20R3.3317099 Cc1ccc2nc(sc2c1)SC3CCCCC3F 62a_100015423560_100010186437 [0,2,0,0,0,0|2,0,0]=4 2406 B20R3.3317099 Cc1ccc2nc(sc2c1)SC3CCCCC3O 62a_100000038908_100010186437 [0,2,0,0,0,0|2,0,0]=4 2407 B20R3.3317099 Cc1ccc2oc(nc2c1)CN3CCOC[C@@H]3C 2230a_100009815349_100011374149 [0,2,0,0,0,0|1,1,0]=4 2408 B20R3.3317099 Cc1ccc2oc(nc2c1)CN3CCOC[C@@H]3C 269982a_100009815349_100011374149 [0,2,0,0,0,0|1,1,0]=4 2409 B20R3.3317099 Cc1ccc2oc(nc2c1)CN3CCOC[C@@H]3C 34a_100009815349_100011374149 [0,2,0,0,0,0|1,1,0]=4 2410 B20R3.3317099 Cc1ccc2sc(cc2c1)CN3CCOC[C@@H]3C 270004a_100009815349_100000050833 [0,2,0,0,0,0|2,0,0]=4 2411 B20R3.3317099 Fc1ccc2nc(sc2c1)N[C@H]3CCOC[C@@H]3F 27a_100016994078_100000751617 [0,2,0,0,0,0|2,0,0]=4 2412 B20R3.3317099 Fc1ccc2nc(sc2c1)SC3CCCCC3F 62a_100000751617_100015423560 [0,2,0,0,0,0|2,0,0]=4 2413 B20R3.3317099 Fc1ccc2nc(sc2c1)SC3CCCCC3F 62a_100015423560_100000751617 [0,2,0,0,0,0|2,0,0]=4 2414 B20R3.3317099 Fc1ccc2sc(nc2c1)N[C@H]3CCOC[C@@H]3F 27a_100016994078_200010206605 [0,2,0,0,0,0|2,0,0]=4 2415 B20R3.3317099 Fc1ccc2sc(nc2c1)SC3CCCCC3F 62a_100015423560_200010206605 [0,2,0,0,0,0|2,0,0]=4 2416 B20R3.3317099 Fc1ccc2sc(nc2c1)SC3CCCCC3F 62a_200010206605_100015423560 [0,2,0,0,0,0|2,0,0]=4 2417 B20R3.3317099 Nc1ccc2nc(sc2c1)N[C@@H]3CCOC[C@@H]3O 27a_100016994285_100010253933 [0,2,0,0,0,0|2,0,0]=4 2418 B20R3.3317099 Nc1ccc2nc(sc2c1)N[C@H]3CCOC[C@@H]3F 27a_100016994078_100010253933 [0,2,0,0,0,0|2,0,0]=4 2419 B20R3.3317099 Nc1ccc2nc(sc2c1)SC3CCCCC3F 62a_100010253933_100015423560 [0,2,0,0,0,0|2,0,0]=4 2420 B20R3.3317099 Nc1ccc2nc(sc2c1)SC3CCCCC3F 62a_100015423560_100010253933 [0,2,0,0,0,0|2,0,0]=4 2421 B20R3.3317099 Nc1ccc2nc(sc2c1)SC3CCCCC3O 62a_100000038908_100010253933 [0,2,0,0,0,0|2,0,0]=4 2422 B20R3.3317099 Nc1ccc2nc(sc2c1)SC3CCCCC3O 62a_100010253933_100000038908 [0,2,0,0,0,0|2,0,0]=4 2423 B20R3.3317099 Nc1ccc2sc(nc2c1)N[C@@H]3CCOC[C@@H]3O 27a_100016994285_100010329861 [0,2,0,0,0,0|2,0,0]=4 2424 B20R3.3317099 Nc1ccc2sc(nc2c1)N[C@H]3CCOC[C@@H]3F 27a_100016994078_100010329861 [0,2,0,0,0,0|2,0,0]=4 2425 B20R3.3317099 Nc1ccc2sc(nc2c1)SC3CCCCC3F 62a_100010329861_100015423560 [0,2,0,0,0,0|2,0,0]=4 2426 B20R3.3317099 Nc1ccc2sc(nc2c1)SC3CCCCC3F 62a_100015423560_100010329861 [0,2,0,0,0,0|2,0,0]=4 2427 B20R3.3317099 Nc1ccc2sc(nc2c1)SC3CCCCC3O 62a_100000038908_100010329861 [0,2,0,0,0,0|2,0,0]=4 2428 B20R3.3317099 Nc1ccc2sc(nc2c1)SC3CCCCC3O 62a_100010329861_100000038908 [0,2,0,0,0,0|2,0,0]=4 2429 B20R3.3317099 OC1CCCCC1Sc2nc3cc(ccc3s2)F 62a_100000038908_200010206605 [0,2,0,0,0,0|2,0,0]=4 2430 B20R3.3317099 OC1CCCCC1Sc2nc3cc(ccc3s2)F 62a_200010206605_100000038908 [0,2,0,0,0,0|2,0,0]=4 2431 B20R3.3317099 OC1CCCCC1Sc2nc3ccc(cc3s2)F 62a_100000038908_100000751617 [0,2,0,0,0,0|2,0,0]=4 2432 B20R3.3317099 OC1CCCCC1Sc2nc3ccc(cc3s2)F 62a_100000751617_100000038908 [0,2,0,0,0,0|2,0,0]=4 2433 B20R3.3317099 O[C@H]1COCC[C@H]1Nc2nc3cc(ccc3s2)F 27a_100016994285_200010206605 [0,2,0,0,0,0|2,0,0]=4 2434 B20R3.3317099 O[C@H]1COCC[C@H]1Nc2nc3ccc(cc3s2)F 27a_100016994285_100000751617 [0,2,0,0,0,0|2,0,0]=4 2435 B20R3.3317099 Oc1ccc2nc(sc2c1)N[C@@H]3CCOC[C@@H]3O 27a_100016994285_100010063415 [0,2,0,0,0,0|2,0,0]=4 2436 B20R3.3317099 Oc1ccc2nc(sc2c1)N[C@H]3CCOC[C@@H]3F 27a_100016994078_100010063415 [0,2,0,0,0,0|2,0,0]=4 2437 B20R3.3317099 Oc1ccc2nc(sc2c1)SC3CCCCC3F 62a_100015423560_100010063415 [0,2,0,0,0,0|2,0,0]=4 2438 B20R3.3317099 Oc1ccc2nc(sc2c1)SC3CCCCC3O 62a_100000038908_100010063415 [0,2,0,0,0,0|2,0,0]=4 2439 B20R3.49451436 CC1(CCOCC1)Nc2nc3cc(ccc3s2)F 27a_100000692449_200010206605 [0,2,0,0,0,0|2,0,0]=4 2440 B20R3.49451436 CC1(CCOCC1)Nc2nc3cc(ccc3s2)N 27a_100000692449_100010329861 [0,2,0,0,0,0|2,0,0]=4 2441 B20R3.49451436 CC1(CCOCC1)Nc2nc3ccc(cc3s2)F 27a_100000692449_100000751617 [0,2,0,0,0,0|2,0,0]=4 2442 B20R3.49451436 CC1(CCOCC1)Nc2nc3ccc(cc3s2)N 27a_100000692449_100010253933 [0,2,0,0,0,0|2,0,0]=4 2443 B20R3.49451436 CC1(CCOCC1)Nc2nc3ccc(cc3s2)O 27a_100000692449_100010063415 [0,2,0,0,0,0|2,0,0]=4 2444 B20R3.49451436 Cc1ccc2nc(sc2c1)NC3(CCOCC3)C 27a_100000692449_100010186437 [0,2,0,0,0,0|2,0,0]=4 2445 B20R3.14329 CC1CCCC(N1Cc2nc3ccccc3s2)C 2230a_100000210447_100000766747 [0,2,0,0,0,0|2,0,0]=4 2446 B20R3.14329 CC1CCCC(N1Cc2nc3ccccc3s2)C 269982a_100000210447_100011217541 [0,2,0,0,0,0|2,0,0]=4 2447 B20R3.14329 CC1CCCC(N1Cc2nc3ccccc3s2)C 34a_100000210447_100011217541 [0,2,0,0,0,0|2,0,0]=4 2448 B20R3.14329 C[C@@H]1COC[C@@H](N1Cc2nc3ccccc3[nH]2)C 2230a_100103153222_100000737899 [0,2,0,0,0,0|2,0,0]=4 2449 B20R3.14329 C[C@@H]1COC[C@@H](N1Cc2nc3ccccc3[nH]2)C 269982a_100103153222_100000737899 [0,2,0,0,0,0|2,0,0]=4 2450 B20R3.14329 C[C@@H]1COC[C@@H](N1Cc2nc3ccccc3o2)C 2230a_100103153222_100000195508 [0,2,0,0,0,0|1,1,0]=4 2451 B20R3.14329 C[C@@H]1COC[C@@H](N1Cc2nc3ccccc3o2)C 34a_100103153222_200012361514 [0,2,0,0,0,0|1,1,0]=4 2452 B20R3.14329 C[C@@H]1COC[C@@H](N1Cc2nc3ccccc3s2)C 2230a_100103153222_100000766747 [0,2,0,0,0,0|1,0,0]=3 2453 B20R3.14329 C[C@@H]1COC[C@@H](N1Cc2nc3ccccc3s2)C 269982a_100103153222_100011217541 [0,2,0,0,0,0|1,0,0]=3 2454 B20R3.14329 C[C@@H]1COC[C@@H](N1Cc2nc3ccccc3s2)C 34a_100103153222_100011217541 [0,2,0,0,0,0|1,0,0]=3 2455 B20R3.137546 CC1(COCCN1Cc2cc3ccccc3s2)C 270004a_100000724681_100000686906 [0,2,0,0,0,0|2,0,0]=4 2456 B20R3.137546 CC1(COCCN1Cc2nc3ccccc3[nH]2)C 2230a_100000724681_100000737899 [0,2,0,0,0,0|2,0,0]=4 2457 B20R3.137546 CC1(COCCN1Cc2nc3ccccc3[nH]2)C 269982a_100000724681_100000737899 [0,2,0,0,0,0|2,0,0]=4 2458 B20R3.137546 CC1(COCCN1Cc2nc3ccccc3[nH]2)C 270004a_100000724681_100000185668 [0,2,0,0,0,0|2,0,0]=4 2459 B20R3.137546 CC1(COCCN1Cc2nc3ccccc3o2)C 2230a_100000724681_100000195508 [0,2,0,0,0,0|1,1,0]=4 2460 B20R3.137546 CC1(COCCN1Cc2nc3ccccc3o2)C 34a_100000724681_200012361514 [0,2,0,0,0,0|1,1,0]=4 2461 B20R3.137546 CC1(COCCN1Cc2nc3ccccc3s2)C 2230a_100000724681_100000766747 [0,2,0,0,0,0|1,0,0]=3 2462 B20R3.137546 CC1(COCCN1Cc2nc3ccccc3s2)C 269982a_100000724681_100011217541 [0,2,0,0,0,0|1,0,0]=3 2463 B20R3.137546 CC1(COCCN1Cc2nc3ccccc3s2)C 270004a_100000724681_100011204187 [0,2,0,0,0,0|1,0,0]=3 2464 B20R3.137546 CC1(COCCN1Cc2nc3ccccc3s2)C 34a_100000724681_100011217541 [0,2,0,0,0,0|1,0,0]=3 2465 B20R3.137546 FC1(CCCCC1Sc2nc3ccccc3s2)F 62a_200009832135_100000751744 [0,2,0,0,0,0|2,0,0]=4 2466 B20R3.490571 C#CC1CCCCN1Cc2nc3ccccc3s2 2230a_200020621307_100000766747 [0,2,0,0,0,0|2,0,0]=4 2467 B20R3.490571 C#CC1CCCCN1Cc2nc3ccccc3s2 269982a_200020621307_100011217541 [0,2,0,0,0,0|2,0,0]=4 2468 B20R3.490571 C#CC1CCCCN1Cc2nc3ccccc3s2 34a_200020621307_100011217541 [0,2,0,0,0,0|2,0,0]=4 2469 B20R3.490571 CCC1CCCCN1Cc2nc3ccccc3s2 2230a_100000210034_100000766747 [0,2,0,0,0,0|2,0,0]=4 2470 B20R3.490571 CCC1CCCCN1Cc2nc3ccccc3s2 269982a_100000210034_100011217541 [0,2,0,0,0,0|2,0,0]=4 2471 B20R3.490571 CCC1CCCCN1Cc2nc3ccccc3s2 270004a_100000210034_100011204187 [0,2,0,0,0,0|2,0,0]=4 2472 B20R3.490571 CCC1CCCCN1Cc2nc3ccccc3s2 34a_100000210034_100011217541 [0,2,0,0,0,0|2,0,0]=4 2473 B20R3.490571 CC[C@H]1COCCN1Cc2cc3ccccc3s2 270004a_100016988097_100000686906 [0,2,0,0,0,0|2,0,0]=4 2474 B20R3.490571 CC[C@H]1COCCN1Cc2nc3ccccc3[nH]2 2230a_100016988097_100000737899 [0,2,0,0,0,0|2,0,0]=4 2475 B20R3.490571 CC[C@H]1COCCN1Cc2nc3ccccc3[nH]2 269982a_100016988097_100000737899 [0,2,0,0,0,0|2,0,0]=4 2476 B20R3.490571 CC[C@H]1COCCN1Cc2nc3ccccc3[nH]2 270004a_100016988097_100000185668 [0,2,0,0,0,0|2,0,0]=4 2477 B20R3.490571 CC[C@H]1COCCN1Cc2nc3ccccc3o2 2230a_100016988097_100000195508 [0,2,0,0,0,0|1,1,0]=4 2478 B20R3.490571 CC[C@H]1COCCN1Cc2nc3ccccc3o2 34a_100016988097_200012361514 [0,2,0,0,0,0|1,1,0]=4 2479 B20R3.490571 CC[C@H]1COCCN1Cc2nc3ccccc3s2 2230a_100016988097_100000766747 [0,2,0,0,0,0|1,0,0]=3 2480 B20R3.490571 CC[C@H]1COCCN1Cc2nc3ccccc3s2 269982a_100016988097_100011217541 [0,2,0,0,0,0|1,0,0]=3 2481 B20R3.490571 CC[C@H]1COCCN1Cc2nc3ccccc3s2 270004a_100016988097_100011204187 [0,2,0,0,0,0|1,0,0]=3 2482 B20R3.490571 CC[C@H]1COCCN1Cc2nc3ccccc3s2 34a_100016988097_100011217541 [0,2,0,0,0,0|1,0,0]=3 2483 B20R3.490571 N#CC1CCCCN1Cc2nc3ccccc3s2 34a_100016989756_100011217541 [0,2,0,0,0,0|2,0,0]=4 2484 B20R3.490571 OCC1CCCCN1Cc2nc3ccccc3s2 2230a_100000210821_100000766747 [0,2,0,0,0,0|2,0,0]=4 2485 B20R3.490571 OCC1CCCCN1Cc2nc3ccccc3s2 269982a_100000210821_100011217541 [0,2,0,0,0,0|2,0,0]=4 2486 B20R3.490571 OCC1CCCCN1Cc2nc3ccccc3s2 34a_100000210821_100011217541 [0,2,0,0,0,0|2,0,0]=4 2487 B20R3.490571 OCC1COCCC1Nc2nc3ccccc3s2 27a_214813039666_100000751744 [0,2,0,0,0,0|2,0,0]=4 2488 B20R3.490571 OC[C@@H]1COCCN1Cc2cc3ccccc3s2 270004a_100000717676_100000686906 [0,2,0,0,0,0|2,0,0]=4 2489 B20R3.490571 OC[C@@H]1COCCN1Cc2nc3ccccc3[nH]2 2230a_100000717676_100000737899 [0,2,0,0,0,0|2,0,0]=4 2490 B20R3.490571 OC[C@@H]1COCCN1Cc2nc3ccccc3[nH]2 269982a_100000717676_100000737899 [0,2,0,0,0,0|2,0,0]=4 2491 B20R3.490571 OC[C@@H]1COCCN1Cc2nc3ccccc3[nH]2 270004a_100000717676_100000185668 [0,2,0,0,0,0|2,0,0]=4 2492 B20R3.490571 OC[C@@H]1COCCN1Cc2nc3ccccc3o2 2230a_100000717676_100000195508 [0,2,0,0,0,0|1,1,0]=4 2493 B20R3.490571 OC[C@@H]1COCCN1Cc2nc3ccccc3o2 34a_100000717676_200012361514 [0,2,0,0,0,0|1,1,0]=4 2494 B20R3.490571 OC[C@@H]1COCCN1Cc2nc3ccccc3s2 2230a_100000717676_100000766747 [0,2,0,0,0,0|1,0,0]=3 2495 B20R3.490571 OC[C@@H]1COCCN1Cc2nc3ccccc3s2 269982a_100000717676_100011217541 [0,2,0,0,0,0|1,0,0]=3 2496 B20R3.490571 OC[C@@H]1COCCN1Cc2nc3ccccc3s2 270004a_100000717676_100011204187 [0,2,0,0,0,0|1,0,0]=3 2497 B20R3.490571 OC[C@@H]1COCCN1Cc2nc3ccccc3s2 34a_100000717676_100011217541 [0,2,0,0,0,0|1,0,0]=3 2498 B20R3.2864785 CC(c1nc2ccccc2[nH]1)N3CCOC[C@@H]3C 270004a_100009815349_100000199114 [0,2,0,0,0,0|2,0,0]=4 2499 B20R3.4883873 C[C@H]1CN(CCN1Cc2nc3ccccc3s2)C 2230a_100012002466_100000766747 [0,2,0,0,0,0|2,0,0]=4 2500 B20R3.4883873 C[C@H]1CN(CCN1Cc2nc3ccccc3s2)C 269982a_100012002466_100011217541 [0,2,0,0,0,0|2,0,0]=4 2501 B20R3.7090 C#CC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100016991398_100000766747 [0,2,0,0,0,0|2,0,0]=4 2502 B20R3.7090 C#CC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100016991398_100011217541 [0,2,0,0,0,0|2,0,0]=4 2503 B20R3.7090 C#CC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100016991398_100011204187 [0,2,0,0,0,0|2,0,0]=4 2504 B20R3.7090 C#CC1CCN(CC1)Cc2nc3ccccc3s2 34a_100016991398_100011217541 [0,2,0,0,0,0|2,0,0]=4 2505 B20R3.7090 CCC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000754474_100000766747 [0,2,0,0,0,0|2,0,0]=4 2506 B20R3.7090 CCC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000754474_100011217541 [0,2,0,0,0,0|2,0,0]=4 2507 B20R3.7090 CCC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100000754474_100011204187 [0,2,0,0,0,0|2,0,0]=4 2508 B20R3.7090 CCC1CCN(CC1)Cc2nc3ccccc3s2 34a_100000754474_100011217541 [0,2,0,0,0,0|2,0,0]=4 2509 B20R3.7090 CCN1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000210033_100000766747 [0,2,0,0,0,0|2,0,0]=4 2510 B20R3.7090 CCN1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000736601_100000210202 [0,2,0,0,0,0|2,0,0]=4 2511 B20R3.7090 CCN1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000210033_100011217541 [0,2,0,0,0,0|2,0,0]=4 2512 B20R3.7090 CCN1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000736601_100000204670 [0,2,0,0,0,0|2,0,0]=4 2513 B20R3.7090 CCN1CCN(CC1)Cc2nc3ccccc3s2 270004a_100000210033_100011204187 [0,2,0,0,0,0|2,0,0]=4 2514 B20R3.7090 COC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000234800_100000766747 [0,2,0,0,0,0|2,0,0]=4 2515 B20R3.7090 COC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000234800_100011217541 [0,2,0,0,0,0|2,0,0]=4 2516 B20R3.7090 COC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100000234800_100011204187 [0,2,0,0,0,0|2,0,0]=4 2517 B20R3.7090 COC1CCN(CC1)Cc2nc3ccccc3s2 34a_100000234800_100011217541 [0,2,0,0,0,0|2,0,0]=4 2518 B20R3.7090 CSC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100015202541_100000766747 [0,2,0,0,0,0|2,0,0]=4 2519 B20R3.7090 CSC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100015202541_100011217541 [0,2,0,0,0,0|2,0,0]=4 2520 B20R3.7090 CSC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100015202541_100011204187 [0,2,0,0,0,0|2,0,0]=4 2521 B20R3.7090 CSC1CCN(CC1)Cc2nc3ccccc3s2 34a_100015202541_100011217541 [0,2,0,0,0,0|2,0,0]=4 2522 B20R3.7090 FCC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100015203933_100000766747 [0,2,0,0,0,0|2,0,0]=4 2523 B20R3.7090 FCC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100015203933_100011217541 [0,2,0,0,0,0|2,0,0]=4 2524 B20R3.7090 FCC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100015203933_100011204187 [0,2,0,0,0,0|2,0,0]=4 2525 B20R3.7090 FCC1CCN(CC1)Cc2nc3ccccc3s2 34a_100015203933_100011217541 [0,2,0,0,0,0|2,0,0]=4 2526 B20R3.7090 FCN1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000736601_100015361967 [0,2,0,0,0,0|2,0,0]=4 2527 B20R3.7090 N#CC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000747632_100000766747 [0,2,0,0,0,0|2,0,0]=4 2528 B20R3.7090 N#CC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100000747632_100011204187 [0,2,0,0,0,0|2,0,0]=4 2529 B20R3.7090 OCC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000738675_100000766747 [0,2,0,0,0,0|2,0,0]=4 2530 B20R3.7090 OCC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000738675_100011217541 [0,2,0,0,0,0|2,0,0]=4 2531 B20R3.7090 OCC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100000738675_100011204187 [0,2,0,0,0,0|2,0,0]=4 2532 B20R3.7090 OCC1CCN(CC1)Cc2nc3ccccc3s2 34a_100000738675_100011217541 [0,2,0,0,0,0|2,0,0]=4 2533 B20R3.119919 CC1(CCN(CC1)Cc2nc3ccccc3s2)C 2230a_100000750138_100000766747 [0,2,0,0,0,0|2,0,0]=4 2534 B20R3.119919 CC1(CCN(CC1)Cc2nc3ccccc3s2)C 269982a_100000750138_100011217541 [0,2,0,0,0,0|2,0,0]=4 2535 B20R3.119919 CC1(CCN(CC1)Cc2nc3ccccc3s2)C 270004a_100000750138_100011204187 [0,2,0,0,0,0|2,0,0]=4 2536 B20R3.119919 CC1(CCN(CC1)Cc2nc3ccccc3s2)O 2230a_100000690209_100000766747 [0,2,0,0,0,0|2,0,0]=4 2537 B20R3.119919 CC1(CCN(CC1)Cc2nc3ccccc3s2)O 269982a_100000690209_100011217541 [0,2,0,0,0,0|2,0,0]=4 2538 B20R3.119919 CC1(CCN(CC1)Cc2nc3ccccc3s2)O 270004a_100000690209_100011204187 [0,2,0,0,0,0|2,0,0]=4 2539 B20R3.119919 C[Si]1(CCN(CC1)Cc2nc3ccccc3s2)C 2230a_100025715224_100000766747 [0,2,0,0,0,0|2,0,0]=4 2540 B20R3.119919 C[Si]1(CCN(CC1)Cc2nc3ccccc3s2)C 269982a_100025715224_100011217541 [0,2,0,0,0,0|2,0,0]=4 2541 B20R3.119919 FC1(CCC(CC1)Sc2nc3ccccc3s2)F 62a_100009865109_100000751744 [0,2,0,0,0,0|2,0,0]=4 2542 B20R3.119919 FC1(CCN(CC1)Cc2nc3ccccc3s2)F 2230a_100000724815_100000766747 [0,2,0,0,0,0|2,0,0]=4 2543 B20R3.119919 FC1(CCN(CC1)Cc2nc3ccccc3s2)F 269982a_100000724815_100011217541 [0,2,0,0,0,0|2,0,0]=4 2544 B20R3.119919 FC1(CCN(CC1)Cc2nc3ccccc3s2)F 270004a_100000724815_100011204187 [0,2,0,0,0,0|2,0,0]=4 2545 B20R3.119919 FC1(CCN(CC1)Cc2nc3ccccc3s2)F 34a_100000724815_100011217541 [0,2,0,0,0,0|2,0,0]=4 2546 B20R3.119919 O=S1(=O)CCN(CC1)Cc2nc3ccccc3s2 2230a_100000750940_100000766747 [0,2,0,0,0,0|1,1,0]=4 2547 B20R3.119919 O=S1(=O)CCN(CC1)Cc2nc3ccccc3s2 269982a_100000750940_100011217541 [0,2,0,0,0,0|1,1,0]=4 2548 B20R3.119919 O=S1(=O)CCN(CC1)Cc2nc3ccccc3s2 270004a_100000750940_100011204187 [0,2,0,0,0,0|1,1,0]=4 2549 B20R3.119919 O=S1(=O)CCN(CC1)Cc2nc3ccccc3s2 34a_100000750940_100011217541 [0,2,0,0,0,0|1,1,0]=4 2550 B20R3.119919 OC1(CCN(CC1)Cc2nc3ccccc3s2)O 269982a_100016987284_100011217541 [0,2,0,0,0,0|2,0,0]=4 2551 B20R3.119919 OC1(CCN(CC1)Cc2nc3ccccc3s2)O 270004a_100016987284_100011204187 [0,2,0,0,0,0|2,0,0]=4 2552 B20R3.553384 CCN(c1nc2ccccc2s1)C3CCOCC3 27a_100011324086_100000751744 [0,2,0,0,0,0|2,0,0]=4 2553 B20R3.2846562 FC(F)(c1nc2ccccc2o1)N3CCOCC3 269982a_100015191051_100009817096 [0,2,0,0,0,0|1,1,0]=4 2554 B20R3.2846562 FC(F)(c1nc2ccccc2o1)N3CCOCC3 34a_100015191051_100009817096 [0,2,0,0,0,0|1,1,0]=4 2555 B20R3.2846562 O=S(=O)(c1cc2ccccc2s1)N3CCOCC3 270084a_100015191051_100000042183 [0,2,0,0,0,0|1,0,1]=4 2556 B20R3.2846562 O=S(=O)(c1cc2ccccc2s1)N3CCOCC3 274078a_100015191051_100000042183 [0,2,0,0,0,0|1,0,1]=4 2557 B18R3.2098 c1ccn2c(ncc2c1)CN3CCOCC3 270004a_100015191051_100000069005 [0,0,1,1,0,0|2,0,0]=4 2558 B18R3.119087 CN(Cc1cc2ccccc2s1)C3COC3 269982a_100015183267_100000687716 [0,0,1,1,0,0|2,0,0]=4 2559 B18R3.119087 CN(Cc1cc2ccccc2s1)C3COC3 270004a_100102693430_100000686906 [0,0,1,1,0,0|2,0,0]=4 2560 B18R3.119087 CN(Cc1nc2ccccc2[nH]1)C3COC3 2230a_100102693430_100000737899 [0,0,1,1,0,0|2,0,0]=4 2561 B18R3.119087 CN(Cc1nc2ccccc2[nH]1)C3COC3 269982a_100000736437_100000687716 [0,0,1,1,0,0|2,0,0]=4 2562 B18R3.119087 CN(Cc1nc2ccccc2[nH]1)C3COC3 269982a_100102693430_100000737899 [0,0,1,1,0,0|2,0,0]=4 2563 B18R3.119087 CN(Cc1nc2ccccc2[nH]1)C3COC3 270004a_100102693430_100000185668 [0,0,1,1,0,0|2,0,0]=4 2564 B18R3.119087 CN(Cc1nc2ccccc2o1)C3COC3 2230a_100102693430_100000195508 [0,0,1,1,0,0|1,1,0]=4 2565 B18R3.119087 CN(Cc1nc2ccccc2s1)C3CCC3 2230a_100000758072_100000766747 [0,0,1,1,0,0|2,0,0]=4 2566 B18R3.119087 CN(Cc1nc2ccccc2s1)C3CCC3 269982a_100000204650_100000749161 [0,0,1,1,0,0|2,0,0]=4 2567 B18R3.119087 CN(Cc1nc2ccccc2s1)C3CCC3 269982a_100000758072_100011217541 [0,0,1,1,0,0|2,0,0]=4 2568 B18R3.119087 CN(Cc1nc2ccccc2s1)C3CCC3 270004a_100000204650_100000241760 [0,0,1,1,0,0|2,0,0]=4 2569 B18R3.119087 CN(Cc1nc2ccccc2s1)C3CCC3 270004a_100000758072_100011204187 [0,0,1,1,0,0|2,0,0]=4 2570 B18R3.119087 CN(Cc1nc2ccccc2s1)C3CCC3 34a_100000758072_100011217541 [0,0,1,1,0,0|2,0,0]=4 2571 B18R3.119087 CN(Cc1nc2ccccc2s1)C3COC3 2230a_100102693430_100000766747 [0,0,1,1,0,0|1,0,0]=3 2572 B18R3.119087 CN(Cc1nc2ccccc2s1)C3COC3 269982a_100000204650_100000687716 [0,0,1,1,0,0|1,0,0]=3 2573 B18R3.119087 CN(Cc1nc2ccccc2s1)C3COC3 269982a_100102693430_100011217541 [0,0,1,1,0,0|1,0,0]=3 2574 B18R3.119087 CN(Cc1nc2ccccc2s1)C3COC3 270004a_100102693430_100011204187 [0,0,1,1,0,0|1,0,0]=3 2575 B18R3.168950 CCC1CN(C1)Cc2nc3ccccc3s2 2230a_100015205115_100000766747 [0,0,1,1,0,0|2,0,0]=4 2576 B18R3.168950 CCC1CN(C1)Cc2nc3ccccc3s2 269982a_100015205115_100011217541 [0,0,1,1,0,0|2,0,0]=4 2577 B18R3.168950 CCC1CN(C1)Cc2nc3ccccc3s2 270004a_100015205115_100011204187 [0,0,1,1,0,0|2,0,0]=4 2578 B18R3.168950 COC1CN(C1)Cc2nc3ccccc3[nH]2 269982a_100000755009_100000737899 [0,0,1,1,0,0|2,0,0]=4 2579 B18R3.168950 COC1CN(C1)Cc2nc3ccccc3s2 269982a_100000755009_100011217541 [0,0,1,1,0,0|1,0,0]=3 2580 B18R3.168950 CO[C@H]1C[C@@H](C1)Nc2nc3ccccc3s2 27a_100121570643_100000751744 [0,0,1,1,0,0|2,0,0]=4 2581 B18R3.168950 CSC1CN(C1)Cc2nc3ccccc3s2 269982a_100016990038_100011217541 [0,0,1,1,0,0|1,1,0]=4 2582 B18R3.168950 CSC1CN(C1)Cc2nc3ccccc3s2 270004a_100016990038_100011204187 [0,0,1,1,0,0|1,1,0]=4 2583 B18R3.5251137 CN(Cc1cc2ccccc2s1)CC3CO3 2230a_100015183267_100011216344 [0,0,1,1,0,0|2,0,0]=4 2584 B18R3.5251137 CN(Cc1cc2ccccc2s1)CC3CO3 269982a_100015183267_102125554688 [0,0,1,1,0,0|2,0,0]=4 2585 B18R3.5251137 CN(Cc1cc2ccccc2s1)C[C@@H]3CO3 269982a_100015183267_100000745022 [0,0,1,1,0,0|2,0,0]=4 2586 B18R3.5251137 CN(Cc1nc2ccccc2[nH]1)CC3CO3 2230a_100000736437_100011216344 [0,0,1,1,0,0|2,0,0]=4 2587 B18R3.5251137 CN(Cc1nc2ccccc2[nH]1)CC3CO3 269982a_100000736437_102125554688 [0,0,1,1,0,0|2,0,0]=4 2588 B18R3.5251137 CN(Cc1nc2ccccc2[nH]1)C[C@@H]3CO3 269982a_100000736437_100000745022 [0,0,1,1,0,0|2,0,0]=4 2589 B18R3.5251137 CN(Cc1nc2ccccc2s1)CC3CC3 2230a_100000204650_100000742324 [0,0,1,1,0,0|2,0,0]=4 2590 B18R3.5251137 CN(Cc1nc2ccccc2s1)CC3CC3 2230a_100000741881_100000766747 [0,0,1,1,0,0|2,0,0]=4 2591 B18R3.5251137 CN(Cc1nc2ccccc2s1)CC3CC3 269982a_100000204650_100000756562 [0,0,1,1,0,0|2,0,0]=4 2592 B18R3.5251137 CN(Cc1nc2ccccc2s1)CC3CC3 269982a_100000741881_100011217541 [0,0,1,1,0,0|2,0,0]=4 2593 B18R3.5251137 CN(Cc1nc2ccccc2s1)CC3CC3 270004a_100000741881_100011204187 [0,0,1,1,0,0|2,0,0]=4 2594 B18R3.5251137 CN(Cc1nc2ccccc2s1)CC3CO3 2230a_100000204650_100011216344 [0,0,1,1,0,0|1,0,0]=3 2595 B18R3.5251137 CN(Cc1nc2ccccc2s1)CC3CO3 269982a_100000204650_102125554688 [0,0,1,1,0,0|1,0,0]=3 2596 B18R3.5251137 CN(Cc1nc2ccccc2s1)CC3CS3 269982a_100000204650_100000031435 [0,0,1,1,0,0|1,1,0]=4 2597 B18R3.5251137 CN(Cc1nc2ccccc2s1)C[C@@H]3CO3 269982a_100000204650_100000745022 [0,0,1,1,0,0|1,0,0]=3 2598 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCOC3 270004a_100000729406_100000752484 [0,0,1,1,0,0|2,0,0]=4 2599 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCOC3 207a_200015188469_100000185668 [0,0,1,1,0,0|2,0,0]=4 2600 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCOC3 2230a_200015188469_100000737899 [0,0,1,1,0,0|2,0,0]=4 2601 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCOC3 270004a_200015188469_100000185668 [0,0,1,1,0,0|2,0,0]=4 2602 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@H]3CCOC3 207a_100015188467_100000185668 [0,0,1,1,0,0|2,0,0]=4 2603 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@H]3CCOC3 2230a_100015188467_100000737899 [0,0,1,1,0,0|2,0,0]=4 2604 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@H]3CCOC3 270004a_100015188467_100000185668 [0,0,1,1,0,0|2,0,0]=4 2605 B18R3.12728 c1ccc2[nH]c(nc2c1)SCC3CCOC3 62a_100000702531_100009814255 [0,0,1,1,0,0|2,0,0]=4 2606 B18R3.12728 c1ccc2oc(nc2c1)CNC3CCOC3 270004a_100000733820_100000752484 [0,0,1,1,0,0|1,1,0]=4 2607 B18R3.12728 c1ccc2oc(nc2c1)CN[C@@H]3CCOC3 2230a_200015188469_100000195508 [0,0,1,1,0,0|1,1,0]=4 2608 B18R3.12728 c1ccc2oc(nc2c1)CN[C@H]3CCOC3 2230a_100015188467_100000195508 [0,0,1,1,0,0|1,1,0]=4 2609 B18R3.12728 c1ccc2oc(nc2c1)CN[C@H]3CCOC3 34a_100015188467_200012361514 [0,0,1,1,0,0|1,1,0]=4 2610 B18R3.12728 c1ccc2sc(cc2c1)CNC3CCOC3 2230a_100015187092_100000731011 [0,0,1,1,0,0|2,0,0]=4 2611 B18R3.12728 c1ccc2sc(cc2c1)CNC3CCOC3 270004a_100015187092_100000752484 [0,0,1,1,0,0|2,0,0]=4 2612 B18R3.12728 c1ccc2sc(cc2c1)CN[C@@H]3CCOC3 207a_200015188469_100000686906 [0,0,1,1,0,0|2,0,0]=4 2613 B18R3.12728 c1ccc2sc(cc2c1)CN[C@@H]3CCOC3 270004a_200015188469_100000686906 [0,0,1,1,0,0|2,0,0]=4 2614 B18R3.12728 c1ccc2sc(cc2c1)CN[C@H]3CCOC3 207a_100015188467_100000686906 [0,0,1,1,0,0|2,0,0]=4 2615 B18R3.12728 c1ccc2sc(cc2c1)CN[C@H]3CCOC3 270004a_100015188467_100000686906 [0,0,1,1,0,0|2,0,0]=4 2616 B18R3.12728 c1ccc2sc(cc2c1)SCC3CCOC3 62a_100000702531_100009816949 [0,0,1,1,0,0|2,0,0]=4 2617 B18R3.12728 c1ccc2sc(nc2c1)CNC3CCCC3 2230a_100000211070_100000766747 [0,0,1,1,0,0|2,0,0]=4 2618 B18R3.12728 c1ccc2sc(nc2c1)CNC3CCCC3 270004a_100000211070_100011204187 [0,0,1,1,0,0|2,0,0]=4 2619 B18R3.12728 c1ccc2sc(nc2c1)CNC3CCCC3 34a_100000211070_100011217541 [0,0,1,1,0,0|2,0,0]=4 2620 B18R3.12728 c1ccc2sc(nc2c1)CN[C@@H]3CCOC3 2230a_200015188469_100000766747 [0,0,1,1,0,0|1,0,0]=3 2621 B18R3.12728 c1ccc2sc(nc2c1)CN[C@@H]3CCOC3 270004a_200015188469_100011204187 [0,0,1,1,0,0|1,0,0]=3 2622 B18R3.12728 c1ccc2sc(nc2c1)CN[C@H]3CCOC3 2230a_100015188467_100000766747 [0,0,1,1,0,0|1,0,0]=3 2623 B18R3.12728 c1ccc2sc(nc2c1)CN[C@H]3CCOC3 270004a_100015188467_100011204187 [0,0,1,1,0,0|1,0,0]=3 2624 B18R3.12728 c1ccc2sc(nc2c1)CN[C@H]3CCOC3 34a_100015188467_100011217541 [0,0,1,1,0,0|1,0,0]=3 2625 B18R3.12728 c1ccc2sc(nc2c1)CO[C@H]3CCOC3 34a_100000717292_100011217541 [0,0,1,1,0,0|2,0,0]=4 2626 B18R3.12728 c1ccc2sc(nc2c1)CSC3CCOC3 62a_100011217541_100000690089 [0,0,1,1,0,0|2,0,0]=4 2627 B18R3.12728 c1ccc2sc(nc2c1)NCC3CCOC3 27a_100000737293_100000751744 [0,0,1,1,0,0|2,0,0]=4 2628 B18R3.12728 c1ccc2sc(nc2c1)SCC3CCCC3 62a_100000740388_100000751744 [0,0,1,1,0,0|2,0,0]=4 2629 B18R3.12728 c1ccc2sc(nc2c1)SCC3CCOC3 62a_100000702531_100000751744 [0,0,1,1,0,0|1,0,0]=3 2630 B18R3.12728 c1cnc2sc(nc2c1)SCC3CCOC3 62a_100000702531_100010188088 [0,0,1,1,0,0|2,0,0]=4 2631 B18R3.12728 c1cnc2sc(nc2c1)SCC3CCOC3 62a_100010188088_100000702531 [0,0,1,1,0,0|2,0,0]=4 2632 B18R3.228811 c1ccc2[nH]c(nc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000185668 [0,0,1,1,0,0|2,0,0]=4 2633 B18R3.228811 c1ccc2[nH]c(nc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100000737899 [0,0,1,1,0,0|2,0,0]=4 2634 B18R3.228811 c1ccc2[nH]c(nc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000185668 [0,0,1,1,0,0|2,0,0]=4 2635 B18R3.228811 c1ccc2oc(nc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100000195508 [0,0,1,1,0,0|1,1,0]=4 2636 B18R3.228811 c1ccc2oc(nc2c1)CNC[C@@H]3CCO3 34a_100020831831_200012361514 [0,0,1,1,0,0|1,1,0]=4 2637 B18R3.228811 c1ccc2sc(cc2c1)CNCC3CCO3 2230a_100015187092_100000103362 [0,0,1,1,0,0|2,0,0]=4 2638 B18R3.228811 c1ccc2sc(cc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000686906 [0,0,1,1,0,0|2,0,0]=4 2639 B18R3.228811 c1ccc2sc(cc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000686906 [0,0,1,1,0,0|2,0,0]=4 2640 B18R3.228811 c1ccc2sc(nc2c1)CNCC3CCC3 2230a_100000738700_100000766747 [0,0,1,1,0,0|2,0,0]=4 2641 B18R3.228811 c1ccc2sc(nc2c1)CNCC3CCC3 270004a_100000738700_100011204187 [0,0,1,1,0,0|2,0,0]=4 2642 B18R3.228811 c1ccc2sc(nc2c1)CNCC3CCC3 34a_100000738700_100011217541 [0,0,1,1,0,0|2,0,0]=4 2643 B18R3.228811 c1ccc2sc(nc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100000766747 [0,0,1,1,0,0|1,0,0]=3 2644 B18R3.228811 c1ccc2sc(nc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100011204187 [0,0,1,1,0,0|1,0,0]=3 2645 B18R3.228811 c1ccc2sc(nc2c1)CNC[C@@H]3CCO3 34a_100020831831_100011217541 [0,0,1,1,0,0|1,0,0]=3 2646 B18R3.228811 c1ccc2sc(nc2c1)COCC3CCO3 34a_100000039022_100011217541 [0,0,1,1,0,0|2,0,0]=4 2647 B18R3.228811 c1ccc2sc(nc2c1)CSCC3CCO3 62a_100000103362_100000766747 [0,0,1,1,0,0|2,0,0]=4 2648 B18R3.228811 c1ccc2sc(nc2c1)CSCC3CCO3 62a_100011217541_100000103362 [0,0,1,1,0,0|2,0,0]=4 2649 B18R3.228812 c1ccc2sc(nc2c1)CNCCC3CC3 270004a_100000764129_100011204187 [0,0,1,1,0,0|2,0,0]=4 2650 B18R3.228812 c1ccc2sc(nc2c1)CNCCC3CC3 34a_100000764129_100011217541 [0,0,1,1,0,0|2,0,0]=4 2651 B18R3.1440749 c1ccc2sc(nc2c1)N3CCCOCC3 27a_100000685342_100000751744 [0,0,1,1,0,0|2,0,0]=4 2652 B18R3.10520 CCN(Cc1nc2ccccc2s1)C3CC3 2230a_100000738653_100000766747 [0,0,1,1,0,0|2,0,0]=4 2653 B18R3.10520 CCN(Cc1nc2ccccc2s1)C3CC3 269982a_100000738653_100011217541 [0,0,1,1,0,0|2,0,0]=4 2654 B18R3.10520 CCN(Cc1nc2ccccc2s1)C3CC3 270004a_100000738653_100011204187 [0,0,1,1,0,0|2,0,0]=4 2655 B18R3.579245 C[C@H]1[C@H](CN1Cc2cc3ccccc3s2)O 270004a_206633788156_100000686906 [0,0,1,1,0,0|2,0,0]=4 2656 B18R3.579245 C[C@H]1[C@H](CN1Cc2nc3ccccc3[nH]2)O 2230a_206633788156_100000737899 [0,0,1,1,0,0|2,0,0]=4 2657 B18R3.579245 C[C@H]1[C@H](CN1Cc2nc3ccccc3[nH]2)O 269982a_206633788156_100000737899 [0,0,1,1,0,0|2,0,0]=4 2658 B18R3.579245 C[C@H]1[C@H](CN1Cc2nc3ccccc3[nH]2)O 270004a_206633788156_100000185668 [0,0,1,1,0,0|2,0,0]=4 2659 B18R3.579245 C[C@H]1[C@H](CN1Cc2nc3ccccc3o2)O 2230a_206633788156_100000195508 [0,0,1,1,0,0|1,1,0]=4 2660 B18R3.579245 C[C@H]1[C@H](CN1Cc2nc3ccccc3s2)O 2230a_206633788156_100000766747 [0,0,1,1,0,0|1,0,0]=3 2661 B18R3.579245 C[C@H]1[C@H](CN1Cc2nc3ccccc3s2)O 269982a_206633788156_100011217541 [0,0,1,1,0,0|1,0,0]=3 2662 B18R3.579245 C[C@H]1[C@H](CN1Cc2nc3ccccc3s2)O 270004a_206633788156_100011204187 [0,0,1,1,0,0|1,0,0]=3 2663 B18R3.2123 c1ccc2nc(ccc2c1)N3CCOCC3 27a_100015191051_100011291633 [0,0,1,1,0,0|2,0,0]=4 2664 B18R3.2123 c1ccc2nc(cnc2c1)N3CCOCC3 27a_100015191051_100000756483 [0,0,1,1,0,0|2,0,0]=4 2665 B18R4.927493 c1ccc2[nH]c(nc2c1)N3CC4CC4C3 27a_100000741873_100009814255 [0,0,0,1,1,0|2,0,0]=4 2666 B18R4.927493 c1ccc2sc(nc2c1)N3CC4CC4C3 27a_100000741873_100000751744 [0,0,0,1,1,0|1,0,0]=3 2667 B18R4.927493 c1cnc2sc(nc2c1)N3CC4CC4C3 27a_100000741873_100010188088 [0,0,0,1,1,0|2,0,0]=4 2668 B20R4.5824701 c1ccc2sc(nc2c1)CNC3C4C3COC4 2230a_100000702821_100000766747 [0,0,0,1,0,1|2,0,0]=4 2669 B20R4.5824701 c1ccc2sc(nc2c1)CNC3C4C3COC4 270004a_100000702821_100011204187 [0,0,0,1,0,1|2,0,0]=4 2670 B20R4.5824701 c1ccc2sc(nc2c1)CNC3C4C3COC4 34a_100000702821_100011217541 [0,0,0,1,0,1|2,0,0]=4 2671 B20R4.7553715 c1ccc2sc(nc2c1)SC3C4CCC3CC4 62a_100009813300_100000751744 [0,0,0,1,0,1|2,0,0]=4 2672 B20R4.4032611 Cc1cccc2c1nc(s2)NC3C4C3COC4 27a_100000702821_100010008827 [0,1,0,1,0,0|2,0,0]=4 2673 B20R4.4032611 Fc1cccc2c1nc(s2)NC3C4C3COC4 27a_100000702821_100010008856 [0,1,0,1,0,0|2,0,0]=4 2674 B20R4.7553724 c1ccc2[nH]c(nc2c1)CN3C[C@H]4C[C@@H]3CO4 2230a_100016995552_100000737899 [0,1,0,1,0,0|2,0,0]=4 2675 B20R4.7553724 c1ccc2[nH]c(nc2c1)CN3C[C@H]4C[C@@H]3CO4 269982a_100016995552_100000737899 [0,1,0,1,0,0|2,0,0]=4 2676 B20R4.7553724 c1ccc2[nH]c(nc2c1)CN3C[C@H]4C[C@@H]3CO4 270004a_100016995552_100000185668 [0,1,0,1,0,0|2,0,0]=4 2677 B20R4.7553724 c1ccc2oc(nc2c1)CN3C[C@H]4C[C@@H]3CO4 2230a_100016995552_100000195508 [0,1,0,1,0,0|1,1,0]=4 2678 B20R4.7553724 c1ccc2oc(nc2c1)CN3C[C@H]4C[C@@H]3CO4 34a_100016995552_200012361514 [0,1,0,1,0,0|1,1,0]=4 2679 B20R4.7553724 c1ccc2sc(cc2c1)CN3C[C@H]4C[C@@H]3CO4 270004a_100016995552_100000686906 [0,1,0,1,0,0|2,0,0]=4 2680 B20R4.7553724 c1ccc2sc(nc2c1)CN3CC4CCC3C4 2230a_100000743476_100000766747 [0,1,0,1,0,0|2,0,0]=4 2681 B20R4.7553724 c1ccc2sc(nc2c1)CN3CC4CCC3C4 269982a_100000743476_100011217541 [0,1,0,1,0,0|2,0,0]=4 2682 B20R4.7553724 c1ccc2sc(nc2c1)CN3CC4CCC3C4 270004a_100000743476_100011204187 [0,1,0,1,0,0|2,0,0]=4 2683 B20R4.7553724 c1ccc2sc(nc2c1)CN3CC4CCC3C4 34a_100000743476_100011217541 [0,1,0,1,0,0|2,0,0]=4 2684 B20R4.7553724 c1ccc2sc(nc2c1)CN3C[C@H]4C[C@@H]3CO4 2230a_100016995552_100000766747 [0,1,0,1,0,0|1,0,0]=3 2685 B20R4.7553724 c1ccc2sc(nc2c1)CN3C[C@H]4C[C@@H]3CO4 269982a_100016995552_100011217541 [0,1,0,1,0,0|1,0,0]=3 2686 B20R4.7553724 c1ccc2sc(nc2c1)CN3C[C@H]4C[C@@H]3CO4 270004a_100016995552_100011204187 [0,1,0,1,0,0|1,0,0]=3 2687 B20R4.7553724 c1ccc2sc(nc2c1)CN3C[C@H]4C[C@@H]3CO4 34a_100016995552_100011217541 [0,1,0,1,0,0|1,0,0]=3 2688 B20R4.7553724 c1ccc2sc(nc2c1)SC3CC4CCC3C4 62a_100000727232_100000751744 [0,1,0,1,0,0|2,0,0]=4 2689 B20R4.11128178 Cc1ccc2nc(sc2c1)NC3C4C3COC4 27a_100000702821_100010186437 [0,1,0,1,0,0|2,0,0]=4 2690 B20R4.11128178 Fc1ccc2nc(sc2c1)NC3C4C3COC4 27a_100000702821_100000751617 [0,1,0,1,0,0|2,0,0]=4 2691 B20R4.11128178 Fc1ccc2sc(nc2c1)NC3C4C3COC4 27a_100000702821_200010206605 [0,1,0,1,0,0|2,0,0]=4 2692 B20R4.11128178 Nc1ccc2nc(sc2c1)NC3C4C3COC4 27a_100000702821_100010253933 [0,1,0,1,0,0|2,0,0]=4 2693 B20R4.11128178 Nc1ccc2sc(nc2c1)NC3C4C3COC4 27a_100000702821_100010329861 [0,1,0,1,0,0|2,0,0]=4 2694 B20R4.11128178 Oc1ccc2nc(sc2c1)NC3C4C3COC4 27a_100000702821_100010063415 [0,1,0,1,0,0|2,0,0]=4 2695 B16R2.88 O=C(CN1CCOCC1)c2ccccc2 269982a_100015191051_100000211460 [0,0,1,0,1,0|1,1,0]=4 2696 B16R2.88 O=C(Nc1ccccc1)N2CCOCC2 2430a_100000106764_100015191051 [0,0,1,0,1,0|0,1,1]=4 2697 B16R2.150 C=CCSc1cnc(s1)N2CCOCC2 62a_100000210623_100012356742 [0,0,1,0,1,0|1,0,1]=4 2698 B16R2.150 C=CCSc1cnc(s1)N2CCOCC2 62a_100012356742_100000210623 [0,0,1,0,1,0|1,0,1]=4 2699 B16R2.150 C=CCSc1csc(n1)N2CCOCC2 62a_100000210623_100000697515 [0,0,1,0,1,0|1,0,1]=4 2700 B16R2.150 C=CCSc1csc(n1)N2CCOCC2 62a_100000697515_100000210623 [0,0,1,0,1,0|1,0,1]=4 2701 B16R2.2128 C=CCCN(C)c1nc2ccccc2s1 27a_100020639649_100000751744 [0,0,1,0,1,0|1,0,1]=4 2702 B16R2.2128 CCCCN(C)c1nc2ccccc2[nH]1 27a_100000207549_100009814255 [0,0,1,0,1,0|2,0,0]=4 2703 B16R2.2128 CCCCN(C)c1nc2ccccc2s1 27a_100000207549_100000751744 [0,0,1,0,1,0|1,0,0]=3 2704 B16R2.2128 CCCCN(C)c1nc2cccnc2s1 27a_100000207549_100010188088 [0,0,1,0,1,0|2,0,0]=4 2705 B16R2.2128 CN(CCC#N)c1nc2ccccc2s1 27a_100000184479_100000751744 [0,0,1,0,1,0|2,0,0]=4 2706 B16R2.2128 CN(CCCO)c1nc2ccccc2s1 27a_100000213112_100000751744 [0,0,1,0,1,0|2,0,0]=4 2707 B16R2.2128 COCCN(C)c1nc2ccccc2[nH]1 27a_100000743101_100009814255 [0,0,1,0,1,0|1,0,0]=3 2708 B16R2.2128 COCCN(C)c1nc2ccccc2s1 27a_100000743101_100000751744 [0,0,1,0,1,0|0,0,0]=2 2709 B16R2.2128 COCCN(C)c1nc2cccnc2s1 27a_100000743101_100010188088 [0,0,1,0,1,0|1,0,0]=3 2710 B16R2.2128 COCNC(C)c1nc2ccccc2s1 2230a_100000213967_100000766300 [0,0,1,0,1,0|2,0,0]=4 2711 B16R2.2128 CSCCN(C)c1nc2ccccc2[nH]1 27a_100000686725_100009814255 [0,0,1,0,1,0|1,1,0]=4 2712 B16R2.2128 CSCCN(C)c1nc2ccccc2s1 27a_100000686725_100000751744 [0,0,1,0,1,0|0,1,0]=3 2713 B16R2.2128 CSCCN(C)c1nc2cccnc2s1 27a_100000686725_100010188088 [0,0,1,0,1,0|1,1,0]=4 2714 B16R2.177828 CCOCCNN=C1Cc2c1cccc2 4a_100000732670_100000051409 [0,0,1,0,1,0|2,0,0]=4 2715 B16R2.3059 C#CCN(CC)c1nc2ccccc2s1 27a_100000744766_100000751744 [0,0,1,0,1,0|1,0,1]=4 2716 B16R2.3059 CCCN(CC)c1nc2ccccc2[nH]1 27a_100000226822_100009814255 [0,0,1,0,1,0|2,0,0]=4 2717 B16R2.3059 CCCN(CC)c1nc2ccccc2s1 27a_100000226822_100000751744 [0,0,1,0,1,0|1,0,0]=3 2718 B16R2.3059 CCCN(CC)c1nc2cccnc2s1 27a_100000226822_100010188088 [0,0,1,0,1,0|2,0,0]=4 2719 B16R2.3059 CCN(CCO)c1nc2ccccc2[nH]1 27a_100000210973_100009814255 [0,0,1,0,1,0|1,0,0]=3 2720 B16R2.3059 CCN(CCO)c1nc2ccccc2s1 27a_100000210973_100000751744 [0,0,1,0,1,0|0,0,0]=2 2721 B16R2.3059 CCN(CCO)c1nc2cccnc2s1 27a_100000210973_100010188088 [0,0,1,0,1,0|1,0,0]=3 2722 B16R3.1783 c1ccc2c(c1)CC2N3CCOCC3 269982a_100015191051_100009813401 [0,0,0,0,2,0|1,0,1]=4 2723 B16R3.5925 C1=C(CCC1)c2nc3ccccc3s2 271570a_100000089523_100000751744 [0,0,0,0,2,0|1,0,1]=4 2724 B16R3.5925 C1=C(CCO1)c2nc3ccccc3s2 271570a_100000118173_100000751744 [0,0,0,0,2,0|1,0,1]=4 2725 B16R3.5925 C1=C(COC1)c2nc3ccccc3s2 271570a_100009872500_100000751744 [0,0,0,0,2,0|1,0,1]=4 2726 B16R3.5925 C1=CCN(C1)c2nc3ccccc3s2 27a_100015195280_100000751744 [0,0,0,0,2,0|0,0,2]=4 2727 B16R3.5925 c1ccc2[nH]c(nc2c1)N3CCCC3 27a_100000188435_100009814255 [0,0,0,0,2,0|1,0,0]=3 2728 B16R3.5925 c1ccc2[nH]c(nc2c1)N3CCSC3 27a_100011215254_100009814255 [0,0,0,0,2,0|1,1,0]=4 2729 B16R3.5925 c1ccc2sc(nc2c1)N3CCCC3 27a_100000188435_100000751744 [0,0,0,0,2,0|0,0,0]=2 2730 B16R3.5925 c1ccc2sc(nc2c1)N3CCSC3 27a_100011215254_100000751744 [0,0,0,0,2,0|0,1,0]=3 2731 B16R3.5925 c1cnc2sc(nc2c1)N3CCCC3 27a_100000188435_100010188088 [0,0,0,0,2,0|1,0,0]=3 2732 B16R3.5925 c1cnc2sc(nc2c1)N3CCSC3 27a_100011215254_100010188088 [0,0,0,0,2,0|1,1,0]=4 2733 B16R3.63995 c1ccc2[nH]c(nc2c1)CN3CCC3 269982a_100000754969_100000737899 [0,0,0,0,2,0|2,0,0]=4 2734 B16R3.63995 c1ccc2sc(nc2c1)CN3CCC3 269982a_100000754969_100011217541 [0,0,0,0,2,0|1,0,0]=3 2735 B16R3.63995 c1ccc2sc(nc2c1)NC3CCC3 27a_100000749019_100000751744 [0,0,0,0,2,0|2,0,0]=4 2736 B16R3.63995 c1ccc2sc(nc2c1)NC3COC3 27a_100016991112_100000751744 [0,0,0,0,2,0|2,0,0]=4 2737 B16R3.63995 c1cnc2sc(nc2c1)SC3CCC3 62a_100010188088_100000749161 [0,0,0,0,2,0|2,0,0]=4 2738 B16R3.63995 c1cnc2sc(nc2c1)SC3COC3 62a_100010188088_100009818527 [0,0,0,0,2,0|2,0,0]=4 2739 B16R3.5988 c1cn2nc(sc2n1)N3CCOCC3 27a_100015191051_100011333511 [0,0,0,0,2,0|2,0,0]=4 2740 B18R2.33945 COCCN(C)Cc1cc2ccccc2cn1 2230a_100000743101_100009869231 [0,0,1,0,0,1|2,0,0]=4 2741 B18R2.33945 COCCN(C)Cc1cc2ccccc2cn1 269982a_100000743101_100009869231 [0,0,1,0,0,1|2,0,0]=4 2742 B18R2.33945 COCCN(C)Cc1cc2ccccc2cn1 270004a_100000743101_100000059776 [0,0,1,0,0,1|2,0,0]=4 2743 B18R2.33945 COCCN(C)Cc1ccc2ccccc2n1 2230a_100000743101_100000737579 [0,0,1,0,0,1|2,0,0]=4 2744 B18R2.33945 COCCN(C)Cc1ccc2ccccc2n1 270004a_100000743101_100000759686 [0,0,1,0,0,1|2,0,0]=4 2745 B18R2.33945 COCCN(C)Cc1cnc2ccccc2c1 2230a_100011875994_100011201679 [0,0,1,0,0,1|2,0,0]=4 2746 B18R2.33945 COCCN(C)Cc1cnc2ccccc2c1 269982a_100011875994_100000233755 [0,0,1,0,0,1|2,0,0]=4 2747 B18R2.33945 COCCN(C)Cc1cnc2ccccc2c1 270004a_100000743101_100000750898 [0,0,1,0,0,1|2,0,0]=4 2748 B18R2.33945 COCCN(C)Cc1cnc2ccccc2n1 2230a_100015184070_100011201679 [0,0,1,0,0,1|2,0,0]=4 2749 B18R2.33945 COCCN(C)Cc1cnc2ccccc2n1 269982a_100015184070_100000233755 [0,0,1,0,0,1|2,0,0]=4 2750 B18R2.33945 COCCN(C)Cc1cnc2ccccc2n1 270004a_100000743101_100000204677 [0,0,1,0,0,1|2,0,0]=4 2751 B18R2.9737 CCOCCCSc1cc2ccccc2cn1 62a_100009816522_100012232248 [0,0,1,0,0,1|2,0,0]=4 2752 B18R2.9737 CCOCCCSc1cc2ccccc2cn1 62a_100012232248_100000047361 [0,0,1,0,0,1|2,0,0]=4 2753 B18R2.9737 CCOCCCSc1ccc2ccccc2n1 62a_100011291633_100012232248 [0,0,1,0,0,1|2,0,0]=4 2754 B18R2.9737 CCOCCCSc1ccc2ccccc2n1 62a_100012232248_100011291633 [0,0,1,0,0,1|2,0,0]=4 2755 B18R2.9737 CCOCCCSc1cnc2ccccc2c1 62a_100012232248_100000737414 [0,0,1,0,0,1|2,0,0]=4 2756 B18R2.9737 CCOCCCSc1cnc2ccccc2n1 62a_100000756483_100012232248 [0,0,1,0,0,1|2,0,0]=4 2757 B18R2.9737 CCOCCCSc1cnc2ccccc2n1 62a_100012232248_100000756483 [0,0,1,0,0,1|2,0,0]=4 2758 B18R2.9737 CCOCCCSc1ncc2ccccc2n1 62a_100012232248_100000097389 [0,0,1,0,0,1|2,0,0]=4 2759 B18R2.9737 CCOCCNCc1cc2ccccc2cn1 207a_100011200944_100000059776 [0,0,1,0,0,1|2,0,0]=4 2760 B18R2.9737 CCOCCNCc1cc2ccccc2cn1 2230a_102516460346_100009869231 [0,0,1,0,0,1|2,0,0]=4 2761 B18R2.9737 CCOCCNCc1cc2ccccc2cn1 270004a_102516460346_100000059776 [0,0,1,0,0,1|2,0,0]=4 2762 B18R2.9737 CCOCCNCc1cc2ccccc2cn1 34a_102516460346_100009869231 [0,0,1,0,0,1|2,0,0]=4 2763 B18R2.9737 CCOCCNCc1ccc2ccccc2n1 207a_100011200944_100000759686 [0,0,1,0,0,1|2,0,0]=4 2764 B18R2.9737 CCOCCNCc1ccc2ccccc2n1 2230a_102516460346_100000737579 [0,0,1,0,0,1|2,0,0]=4 2765 B18R2.9737 CCOCCNCc1ccc2ccccc2n1 270004a_102516460346_100000759686 [0,0,1,0,0,1|2,0,0]=4 2766 B18R2.9737 CCOCCNCc1ccc2ccccc2n1 34a_102516460346_100000737579 [0,0,1,0,0,1|2,0,0]=4 2767 B18R2.9737 CCOCCNCc1cnc2ccccc2c1 207a_100011200944_100000750898 [0,0,1,0,0,1|2,0,0]=4 2768 B18R2.9737 CCOCCNCc1cnc2ccccc2c1 270004a_102516460346_100000750898 [0,0,1,0,0,1|2,0,0]=4 2769 B18R2.9737 CCOCCNCc1cnc2ccccc2c1 34a_100000742225_100000210147 [0,0,1,0,0,1|2,0,0]=4 2770 B18R2.9737 CCOCCNCc1cnc2ccccc2n1 270004a_102516460346_100000204677 [0,0,1,0,0,1|2,0,0]=4 2771 B18R2.9737 CCOCCNCc1ncc2ccccc2n1 34a_102516460346_100009868571 [0,0,1,0,0,1|2,0,0]=4 2772 B18R2.4165 CCCC(CC)SCc1nc2ccccc2s1 62a_100011217541_100011219200 [0,0,1,0,0,1|2,0,0]=4 2773 B18R2.4165 CCCC(CC)SCc1nc2ccccc2s1 62a_100011219200_100000766747 [0,0,1,0,0,1|2,0,0]=4 2774 B18R2.4165 CCN(CCO)CCc1nc2ccccc2[nH]1 269982a_100000210973_100015206048 [0,0,1,0,0,1|2,0,0]=4 2775 B18R2.4165 CCN(CCO)CCc1nc2ccccc2[nH]1 269982a_200015184065_100000211926 [0,0,1,0,0,1|2,0,0]=4 2776 B18R2.125209 CCN(CCO)Cc1cc2ccccc2cn1 2230a_100000210973_100009869231 [0,0,1,0,0,1|2,0,0]=4 2777 B18R2.125209 CCN(CCO)Cc1cc2ccccc2cn1 269982a_100000210973_100009869231 [0,0,1,0,0,1|2,0,0]=4 2778 B18R2.125209 CCN(CCO)Cc1cc2ccccc2cn1 270004a_100000210973_100000059776 [0,0,1,0,0,1|2,0,0]=4 2779 B18R2.125209 CCN(CCO)Cc1ccc2ccccc2n1 2230a_100000210973_100000737579 [0,0,1,0,0,1|2,0,0]=4 2780 B18R2.125209 CCN(CCO)Cc1ccc2ccccc2n1 270004a_100000210973_100000759686 [0,0,1,0,0,1|2,0,0]=4 2781 B18R2.125209 CCN(CCO)Cc1cnc2ccccc2c1 270004a_100000210973_100000750898 [0,0,1,0,0,1|2,0,0]=4 2782 B18R2.125209 CCN(CCO)Cc1cnc2ccccc2n1 270004a_100000210973_100000204677 [0,0,1,0,0,1|2,0,0]=4 2783 B18R3.36580 c1ccc2cc(ncc2c1)CN3CCCC3 2230a_100000188435_100009869231 [0,0,0,0,1,1|2,0,0]=4 2784 B18R3.36580 c1ccc2cc(ncc2c1)CN3CCCC3 269982a_100000188435_100009869231 [0,0,0,0,1,1|2,0,0]=4 2785 B18R3.36580 c1ccc2cc(ncc2c1)CN3CCCC3 270004a_100000188435_100000059776 [0,0,0,0,1,1|2,0,0]=4 2786 B18R3.36580 c1ccc2cc(ncc2c1)SC3CCCC3 62a_100009816522_100000179811 [0,0,0,0,1,1|2,0,0]=4 2787 B18R3.36580 c1ccc2cc(ncc2c1)SC3CCCC3 62a_100011217020_100000047361 [0,0,0,0,1,1|2,0,0]=4 2788 B18R3.36580 c1ccc2cc(ncc2c1)SC3CCOC3 62a_100009816522_100000690089 [0,0,0,0,1,1|2,0,0]=4 2789 B18R3.36580 c1ccc2nc(ccc2c1)CN3CCCC3 2230a_100000188435_100000737579 [0,0,0,0,1,1|2,0,0]=4 2790 B18R3.36580 c1ccc2nc(ccc2c1)CN3CCCC3 270004a_100000188435_100000759686 [0,0,0,0,1,1|2,0,0]=4 2791 B18R3.36580 c1ccc2nc(ccc2c1)SC3CCCC3 62a_100011217020_100011291633 [0,0,0,0,1,1|2,0,0]=4 2792 B18R3.36580 c1ccc2nc(ccc2c1)SC3CCCC3 62a_100011291633_100000179811 [0,0,0,0,1,1|2,0,0]=4 2793 B18R3.36580 c1ccc2nc(ccc2c1)SC3CCOC3 62a_100011291633_100000690089 [0,0,0,0,1,1|2,0,0]=4 2794 B18R3.36580 c1ccc2nc(cnc2c1)CN3CCCC3 270004a_100000188435_100000204677 [0,0,0,0,1,1|2,0,0]=4 2795 B18R3.36580 c1ccc2nc(cnc2c1)SC3CCCC3 62a_100000756483_100000179811 [0,0,0,0,1,1|2,0,0]=4 2796 B18R3.36580 c1ccc2nc(cnc2c1)SC3CCCC3 62a_100011217020_100000756483 [0,0,0,0,1,1|2,0,0]=4 2797 B18R3.36580 c1ccc2nc(cnc2c1)SC3CCOC3 62a_100000756483_100000690089 [0,0,0,0,1,1|2,0,0]=4 2798 B18R3.36580 c1ccc2nc(ncc2c1)SC3CCCC3 62a_100011217020_100000097389 [0,0,0,0,1,1|2,0,0]=4 2799 B18R3.36580 c1ccc2ncc(cc2c1)CN3CCCC3 270004a_100000188435_100000750898 [0,0,0,0,1,1|2,0,0]=4 2800 B18R3.36580 c1ccc2ncc(cc2c1)SC3CCCC3 62a_100011217020_100000737414 [0,0,0,0,1,1|2,0,0]=4 2801 B20R3.30190 c1ccc2cc(ncc2c1)CSC3CCOCC3 62a_100009869231_100011324220 [0,0,0,0,0,2|2,0,0]=4 2802 B20R3.30190 c1ccc2cc(ncc2c1)SCC3CCOCC3 62a_100000754603_100000047361 [0,0,0,0,0,2|2,0,0]=4 2803 B20R3.30190 c1ccc2cc(ncc2c1)SCC3CCOCC3 62a_100009816522_100000749018 [0,0,0,0,0,2|2,0,0]=4 2804 B20R3.30190 c1ccc2nc(ccc2c1)CSC3CCOCC3 62a_100000737579_100011324220 [0,0,0,0,0,2|2,0,0]=4 2805 B20R3.30190 c1ccc2nc(ccc2c1)SCC3CCOCC3 62a_100000754603_100011291633 [0,0,0,0,0,2|2,0,0]=4 2806 B20R3.30190 c1ccc2nc(ccc2c1)SCC3CCOCC3 62a_100011291633_100000749018 [0,0,0,0,0,2|2,0,0]=4 2807 B20R3.30190 c1ccc2nc(cnc2c1)CSC3CCOCC3 62a_200000751123_100011324220 [0,0,0,0,0,2|2,0,0]=4 2808 B20R3.30190 c1ccc2nc(cnc2c1)SCC3CCOCC3 62a_100000754603_100000756483 [0,0,0,0,0,2|2,0,0]=4 2809 B20R3.30190 c1ccc2nc(cnc2c1)SCC3CCOCC3 62a_100000756483_100000749018 [0,0,0,0,0,2|2,0,0]=4 2810 B20R3.30190 c1ccc2nc(ncc2c1)CSC3CCOCC3 62a_100009868571_100011324220 [0,0,0,0,0,2|2,0,0]=4 2811 B20R3.30190 c1ccc2nc(ncc2c1)SCC3CCOCC3 62a_100000754603_100000097389 [0,0,0,0,0,2|2,0,0]=4 2812 B20R3.30190 c1ccc2ncc(cc2c1)SCC3CCOCC3 62a_100000754603_100000737414 [0,0,0,0,0,2|2,0,0]=4 2813 B20R3.1869517 c1ccc2cc(ncc2c1)CN3CCCOCC3 2230a_100000685342_100009869231 [0,0,0,0,0,2|2,0,0]=4 2814 B20R3.1869517 c1ccc2cc(ncc2c1)CN3CCCOCC3 269982a_100000685342_100009869231 [0,0,0,0,0,2|2,0,0]=4 2815 B20R3.1869517 c1ccc2cc(ncc2c1)CN3CCCOCC3 270004a_100000685342_100000059776 [0,0,0,0,0,2|2,0,0]=4 2816 B20R3.1869517 c1ccc2cc(ncc2c1)CN3CCCOCC3 34a_100000685342_100009869231 [0,0,0,0,0,2|2,0,0]=4 2817 B20R3.1869517 c1ccc2nc(ccc2c1)CN3CCCOCC3 2230a_100000685342_100000737579 [0,0,0,0,0,2|2,0,0]=4 2818 B20R3.1869517 c1ccc2nc(ccc2c1)CN3CCCOCC3 270004a_100000685342_100000759686 [0,0,0,0,0,2|2,0,0]=4 2819 B20R3.1869517 c1ccc2nc(ccc2c1)CN3CCCOCC3 34a_100000685342_100000737579 [0,0,0,0,0,2|2,0,0]=4 2820 B20R3.1869517 c1ccc2nc(cnc2c1)CN3CCCOCC3 270004a_100000685342_100000204677 [0,0,0,0,0,2|2,0,0]=4 2821 B20R3.1869517 c1ccc2nc(ncc2c1)CN3CCCOCC3 34a_100000685342_100009868571 [0,0,0,0,0,2|2,0,0]=4 2822 B20R3.1869517 c1ccc2ncc(cc2c1)CN3CCCOCC3 270004a_100000685342_100000750898 [0,0,0,0,0,2|2,0,0]=4 2823 B20R3.30260 C(=NNC1CCOCC1)c2nc3ccccc3s2 4a_100000687383_100011204187 [0,0,0,0,0,2|2,0,0]=4 2824 B20R3.30260 C(=NNc1nc2ccccc2s1)C3CCOCC3 4a_100000181811_100000749017 [0,0,0,0,0,2|2,0,0]=4 2825 B20R3.30260 c1ccc2[nH]c(nc2c1)CSCC3CCOCC3 62a_100000754603_100000737899 [0,0,0,0,0,2|2,0,0]=4 2826 B20R3.30260 c1ccc2[nH]c(nc2c1)NCCN3CCOCC3 27a_100000211067_100009814255 [0,0,0,0,0,2|2,0,0]=4 2827 B20R3.30260 c1ccc2[nH]c(nc2c1)SCCC3CCOCC3 62a_100011934994_100009814255 [0,0,0,0,0,2|2,0,0]=4 2828 B20R3.30260 c1ccc2[nH]c(nc2c1)SCCN3CCCCC3 62a_100000739454_100009814255 [0,0,0,0,0,2|2,0,0]=4 2829 B20R3.30260 c1ccc2oc(nc2c1)CSCC3CCOCC3 62a_100000754603_100000195508 [0,0,0,0,0,2|1,1,0]=4 2830 B20R3.30260 c1ccc2sc(cc2c1)SCCC3CCOCC3 62a_100011934994_100009816949 [0,0,0,0,0,2|2,0,0]=4 2831 B20R3.30260 c1ccc2sc(cc2c1)SCCN3CCCCC3 62a_100000739454_100009816949 [0,0,0,0,0,2|2,0,0]=4 2832 B20R3.30260 c1ccc2sc(nc2c1)CCNC3CCOCC3 270004a_200000203819_100011217826 [0,0,0,0,0,2|2,0,0]=4 2833 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCOCC3 2230a_100000746373_100000766747 [0,0,0,0,0,2|2,0,0]=4 2834 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCOCC3 270004a_100000746373_100011204187 [0,0,0,0,0,2|2,0,0]=4 2835 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCOCC3 34a_100000746373_100011217541 [0,0,0,0,0,2|2,0,0]=4 2836 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCOCC3 34a_100000749013_100011217541 [0,0,0,0,0,2|1,1,0]=4 2837 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCCCC3 62a_100000211423_100000766747 [0,0,0,0,0,2|2,0,0]=4 2838 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCCCC3 62a_100011217541_100000211423 [0,0,0,0,0,2|2,0,0]=4 2839 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCOCC3 62a_100000754603_100000766747 [0,0,0,0,0,2|1,0,0]=3 2840 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCOCC3 62a_100011217541_100000749018 [0,0,0,0,0,2|1,0,0]=3 2841 B20R3.30260 c1ccc2sc(nc2c1)NCCC3CCOCC3 27a_100000755988_100000751744 [0,0,0,0,0,2|2,0,0]=4 2842 B20R3.30260 c1ccc2sc(nc2c1)NCCN3CCCCC3 27a_100000216509_100000751744 [0,0,0,0,0,2|2,0,0]=4 2843 B20R3.30260 c1ccc2sc(nc2c1)NCCN3CCOCC3 27a_100000211067_100000751744 [0,0,0,0,0,2|1,0,0]=3 2844 B20R3.30260 c1ccc2sc(nc2c1)NCCN3CCSCC3 27a_100000755026_100000751744 [0,0,0,0,0,2|1,1,0]=4 2845 B20R3.30260 c1ccc2sc(nc2c1)SCCC3CCCCC3 62a_100012355289_100000751744 [0,0,0,0,0,2|2,0,0]=4 2846 B20R3.30260 c1ccc2sc(nc2c1)SCCC3CCOCC3 62a_100011934994_100000751744 [0,0,0,0,0,2|1,0,0]=3 2847 B20R3.30260 c1ccc2sc(nc2c1)SCCN3CCCCC3 62a_100000739454_100000751744 [0,0,0,0,0,2|1,0,0]=3 2848 B20R3.30260 c1ccc2sc(nc2c1)SCOC3CCCCC3 62a_100011935260_100000751744 [0,0,0,0,0,2|2,0,0]=4 2849 B20R3.30260 c1cnc2sc(nc2c1)NCCN3CCOCC3 27a_100000211067_100010188088 [0,0,0,0,0,2|2,0,0]=4 2850 B20R3.30260 c1cnc2sc(nc2c1)SCCC3CCOCC3 62a_100010188088_100011934994 [0,0,0,0,0,2|2,0,0]=4 2851 B20R3.30260 c1cnc2sc(nc2c1)SCCC3CCOCC3 62a_100011934994_100010188088 [0,0,0,0,0,2|2,0,0]=4 2852 B20R3.30260 c1cnc2sc(nc2c1)SCCN3CCCCC3 62a_100000739454_100010188088 [0,0,0,0,0,2|2,0,0]=4 2853 B20R3.30260 c1cnc2sc(nc2c1)SCCN3CCCCC3 62a_100010188088_100000739454 [0,0,0,0,0,2|2,0,0]=4 2854 B20R3.30260 c1cnc2sc(nc2c1)SCCN3CCOCC3 62a_100010188088_100000211760 [0,0,0,0,0,2|1,0,0]=3 2855 B20R3.1869421 c1ccc2[nH]c(nc2c1)CCN3CCCOCC3 269982a_100000685342_100015206048 [0,0,0,0,0,2|2,0,0]=4 2856 B20R3.1869421 c1ccc2sc(nc2c1)CSC3CCCCCC3 62a_100011217541_100011217769 [0,0,0,0,0,2|2,0,0]=4 2857 B20R3.1869421 c1ccc2sc(nc2c1)CSC3CCCCCC3 62a_100011217769_100000766747 [0,0,0,0,0,2|2,0,0]=4 2858 B20R3.1869421 c1ccc2sc(nc2c1)SCC3CCCCCC3 62a_200000696569_100000751744 [0,0,0,0,0,2|2,0,0]=4 2859 B20R3.1870113 C\1=C\CCC(CCC1)Sc2nc3ccccc3s2 62a_100021000466_100000751744 [0,0,0,0,0,2|2,0,0]=4 2860 B20R3.1870113 c1ccc2sc(nc2c1)CN3CCCCCCC3 2230a_100000211400_100000766747 [0,0,0,0,0,2|2,0,0]=4 2861 B20R3.1870113 c1ccc2sc(nc2c1)CN3CCCCCCC3 269982a_100000211400_100011217541 [0,0,0,0,0,2|2,0,0]=4 2862 B20R3.1870113 c1ccc2sc(nc2c1)CN3CCCCCCC3 270004a_100000211400_100011204187 [0,0,0,0,0,2|2,0,0]=4 2863 B20R3.1870113 c1ccc2sc(nc2c1)CN3CCCCCCC3 34a_100000211400_100011217541 [0,0,0,0,0,2|2,0,0]=4