0 B19R3.19255 C(=CC1CCCCC1)c2cc3ccccc3o2 271570a_100016283615_100010159458 [0,0,0,0,0,0|3,1,0]=4 1 B19R3.19255 C(=CC1CCCCC1)c2cc3ccccc3s2 271570a_100016283615_100009816949 [0,0,0,0,0,0|3,0,0]=3 2 B19R3.19255 c1ccc2oc(cc2c1)SCC3CCCCC3 62a_100000211423_100010159458 [0,0,0,0,0,0|2,1,0]=3 3 B19R3.19255 c1ccc2sc(cc2c1)SCC3CCCCC3 62a_100000211423_100009816949 [0,0,0,0,0,0|2,0,0]=2 4 B20R3.277 Brc1c(sc2c1cccc2)CNC3CCCCC3 207a_100000182618_100009816528 [0,1,0,0,0,0|2,0,0]=3 5 B20R3.277 Brc1c(sc2c1cccc2)SCC3CCCCO3 62a_100000211543_100015504031 [0,1,0,0,0,0|3,0,0]=4 6 B20R3.277 Brc1c(sc2c1cccc2)SCC3CCCCO3 62a_100015504031_100000211543 [0,1,0,0,0,0|3,0,0]=4 7 B20R3.277 Brc1c(sc2c1cccc2)SCC3CCCOC3 62a_100000741521_100015504031 [0,1,0,0,0,0|3,0,0]=4 8 B20R3.277 Brc1c(sc2c1cccc2)SCC3CCCOC3 62a_100015504031_100000741521 [0,1,0,0,0,0|3,0,0]=4 9 B20R3.277 Brc1c(sc2c1cccc2)SCC3CCOCC3 62a_100000754603_100015504031 [0,1,0,0,0,0|3,0,0]=4 10 B20R3.277 Brc1c(sc2c1cccc2)SCC3CCOCC3 62a_100015504031_100000749018 [0,1,0,0,0,0|3,0,0]=4 11 B20R3.277 Cc1c(sc2c1cccc2)C=CC3CCCCC3 271570a_100016283615_200010198769 [0,1,0,0,0,0|3,0,0]=4 12 B20R3.277 Cc1c(sc2c1cccc2)SCC3CCCCC3 62a_100000211423_200010198769 [0,1,0,0,0,0|2,0,0]=3 13 B20R3.277 Clc1c(sc2c1cccc2)COC3CCCCC3 34a_100000210231_100000021718 [0,1,0,0,0,0|3,0,0]=4 14 B20R3.277 Clc1c(sc2c1cccc2)COC3CCCCC3 7a_100000210231_100000021718 [0,1,0,0,0,0|3,0,0]=4 15 B20R3.94169 Brc1ccc2[nH]c(cc2c1)SCC3CCCCC3 62a_100000211423_100011012855 [0,1,0,0,0,0|2,0,1]=4 16 B20R3.94169 Brc1ccc2[nH]c(cc2c1)SCC3CCCCC3 62a_100011012855_100000211423 [0,1,0,0,0,0|2,0,1]=4 17 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCCCC3 207a_100000182618_100009814784 [0,1,0,0,0,0|2,0,0]=3 18 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCCCC3 270004a_100000182618_100009814784 [0,1,0,0,0,0|2,0,0]=3 19 B20R3.94169 Brc1ccc2cc(sc2c1)COC3CCCCC3 7a_100010244134_100000210327 [0,1,0,0,0,0|3,0,0]=4 20 B20R3.94169 Brc1ccc2nc(oc2c1)CSC3CCCCC3 62a_100000210327_100000729449 [0,1,0,0,0,0|2,1,0]=4 21 B20R3.94169 Brc1ccc2nc(oc2c1)CSC3CCCCC3 62a_100000729449_100000210327 [0,1,0,0,0,0|2,1,0]=4 22 B20R3.94169 Brc1ccc2oc(nc2c1)CSC3CCCCC3 62a_100000210327_100000730559 [0,1,0,0,0,0|2,1,0]=4 23 B20R3.94169 Brc1ccc2sc(cc2c1)CNC3CCCCC3 207a_100000182618_100010238522 [0,1,0,0,0,0|2,0,0]=3 24 B20R3.94169 Brc1ccc2sc(cc2c1)CNC3CCCCC3 270004a_100000182618_100010238522 [0,1,0,0,0,0|2,0,0]=3 25 B20R3.94169 Brc1ccc2sc(cc2c1)COC3CCCCC3 7a_100010255381_100000210327 [0,1,0,0,0,0|3,0,0]=4 26 B20R3.94169 Brc1ccc2sc(cc2c1)SCC3CCCCO3 62a_100000211543_200010198765 [0,1,0,0,0,0|3,0,0]=4 27 B20R3.94169 Brc1ccc2sc(cc2c1)SCC3CCCCO3 62a_200010198765_100000211543 [0,1,0,0,0,0|3,0,0]=4 28 B20R3.94169 Brc1ccc2sc(cc2c1)SCC3CCCOC3 62a_100000741521_200010198765 [0,1,0,0,0,0|3,0,0]=4 29 B20R3.94169 Brc1ccc2sc(cc2c1)SCC3CCCOC3 62a_200010198765_100000741521 [0,1,0,0,0,0|3,0,0]=4 30 B20R3.94169 Brc1ccc2sc(cc2c1)SCC3CCOCC3 62a_100000754603_200010198765 [0,1,0,0,0,0|3,0,0]=4 31 B20R3.94169 Brc1ccc2sc(cc2c1)SCC3CCOCC3 62a_200010198765_100000749018 [0,1,0,0,0,0|3,0,0]=4 32 B20R3.94169 Cc1ccc2nc(sc2c1)C=CC3CCCCC3 271570a_100016283615_100010186437 [0,1,0,0,0,0|2,0,0]=3 33 B20R3.94169 Cc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000211423_100010186437 [0,1,0,0,0,0|1,0,0]=2 34 B20R3.94169 Cc1ccc2sc(cc2c1)COC3CCCCC3 7a_200000067789_100000210327 [0,1,0,0,0,0|3,0,0]=4 35 B20R3.94169 Clc1ccc2oc(nc2c1)CSC3CCCCC3 62a_100000210327_100011222916 [0,1,0,0,0,0|2,1,0]=4 36 B20R3.94169 Fc1ccc2nc(sc2c1)C=CC3CCCCC3 271570a_100016283615_100000751617 [0,1,0,0,0,0|2,0,0]=3 37 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000211423_100000751617 [0,1,0,0,0,0|1,0,0]=2 38 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000751617_100000211423 [0,1,0,0,0,0|1,0,0]=2 39 B20R3.94169 Fc1ccc2sc(nc2c1)C=CC3CCCCC3 271570a_100016283615_200010206605 [0,1,0,0,0,0|2,0,0]=3 40 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCCCC3 62a_100000211423_200010206605 [0,1,0,0,0,0|1,0,0]=2 41 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCCCC3 62a_200010206605_100000211423 [0,1,0,0,0,0|1,0,0]=2 42 B20R3.248100 Brc1cccc2c1[nH]c(c2)SCC3CCCCC3 62a_100000211423_100135389745 [0,1,0,0,0,0|2,0,1]=4 43 B20R3.248100 Brc1cccc2c1[nH]c(c2)SCC3CCCCC3 62a_100135389745_100000211423 [0,1,0,0,0,0|2,0,1]=4 44 B20R3.248100 Brc1cccc2c1cc(s2)CNC3CCCCC3 207a_100000182618_100010109917 [0,1,0,0,0,0|2,0,0]=3 45 B20R3.248100 Brc1cccc2c1cc(s2)CNC3CCCCC3 270004a_100000182618_100010109917 [0,1,0,0,0,0|2,0,0]=3 46 B20R3.248100 Brc1cccc2c1sc(c2)CNC3CCCCC3 207a_100000182618_100010110135 [0,1,0,0,0,0|2,0,0]=3 47 B20R3.248100 Brc1cccc2c1sc(c2)CNC3CCCCC3 270004a_100000182618_100010110135 [0,1,0,0,0,0|2,0,0]=3 48 B20R3.248100 Brc1cccc2c1sc(c2)COC3CCCCC3 7a_100010255382_100000210327 [0,1,0,0,0,0|3,0,0]=4 49 B20R3.248100 Cc1cccc2c1nc(s2)C=CC3CCCCC3 271570a_100016283615_100010008827 [0,1,0,0,0,0|2,0,0]=3 50 B20R3.248100 Cc1cccc2c1nc(s2)SCC3CCCCC3 62a_100000211423_100010008827 [0,1,0,0,0,0|1,0,0]=2 51 B20R3.248100 Clc1ccnc2c1sc(c2)SCC3CCCCC3 62a_100000211423_100010192579 [0,1,0,0,0,0|3,0,0]=4 52 B20R3.248100 Fc1cccc2c1nc(s2)C=CC3CCCCC3 271570a_100016283615_100010008856 [0,1,0,0,0,0|2,0,0]=3 53 B20R3.248100 Fc1cccc2c1nc(s2)SCC3CCCCC3 62a_100000211423_100010008856 [0,1,0,0,0,0|1,0,0]=2 54 B20R3.408728 CC1CCC(CC1)SCc2nc3ccccc3s2 62a_100011217541_200011216234 [0,1,0,0,0,0|2,0,0]=3 55 B18R2.1897 CCCCC(C)SCc1nc2ccccc2s1 62a_100011217541_200011215066 [0,0,1,0,0,0|2,0,0]=3 56 B18R2.1897 CCCCC(C)SCc1nc2ccccc2s1 62a_200011215066_100000766747 [0,0,1,0,0,0|2,0,0]=3 57 B18R2.4165 CCCC(CC)SCc1nc2ccccc2s1 62a_100011217541_100011219200 [0,0,1,0,0,0|2,0,0]=3 58 B18R2.4165 CCCC(CC)SCc1nc2ccccc2s1 62a_100011219200_100000766747 [0,0,1,0,0,0|2,0,0]=3 59 B18R2.7339 C=CCCCCCSc1nc2ccccc2s1 62a_100000700193_100000751744 [0,0,1,0,0,0|1,0,2]=4 60 B18R2.7339 CCCCCCC=Cc1cc2ccccc2s1 271570a_200015348155_100009816949 [0,0,1,0,0,0|3,0,0]=4 61 B18R2.7339 CCCCCCC=Cc1nc2ccccc2s1 271570a_200015348155_100000751744 [0,0,1,0,0,0|2,0,0]=3 62 B18R2.7339 CCCCCCCSc1cc2ccccc2[nH]1 62a_100000210614_100010232065 [0,0,1,0,0,0|2,0,1]=4 63 B18R2.7339 CCCCCCCSc1cc2ccccc2o1 62a_100000210614_100010159458 [0,0,1,0,0,0|2,1,0]=4 64 B18R2.7339 CCCCCCCSc1cc2ccccc2s1 62a_100000210614_100009816949 [0,0,1,0,0,0|2,0,0]=3 65 B18R2.7339 CCCCCCCSc1nc2ccccc2s1 62a_100000210614_100000751744 [0,0,1,0,0,0|1,0,0]=2 66 B18R2.7339 CCCCCCSCc1nc2ccccc2s1 62a_100000210314_100000766747 [0,0,1,0,0,0|2,0,0]=3 67 B18R2.7339 CCCCCCSCc1nc2ccccc2s1 62a_100011217541_100000210757 [0,0,1,0,0,0|2,0,0]=3 68 B18R2.7339 FCCCCCCSc1cc2ccccc2s1 62a_100015922095_100009816949 [0,0,1,0,0,0|3,0,0]=4 69 B20R4.7553715 c1ccc2sc(cc2c1)SC3C4CCC3CC4 62a_100009813300_100009816949 [0,0,0,1,0,0|2,0,0]=3 70 B18R3.12728 c1ccc2sc(cc2c1)SCC3CCCC3 62a_100000740388_100009816949 [0,0,0,0,1,0|2,0,0]=3 71 B18R3.12830 c1cc2sc(cc2s1)SCC3CCCCC3 62a_100000211423_200010191111 [0,0,0,0,1,0|3,0,0]=4 72 B18R3.12875 C1=CC(CCC1)Sc2cc3ccccc3s2 62a_100000751183_100009816949 [0,0,0,0,1,0|1,0,2]=4 73 B18R3.12875 c1ccc2sc(cc2c1)SC3CCCCC3 62a_100000210327_100009816949 [0,0,0,0,1,0|1,0,0]=2 74 B20R3.30190 c1ccc2cc(ccc2c1)SCC3CCCCC3 62a_100000211423_100000233703 [0,0,0,0,0,1|3,0,0]=4 75 B20R3.30260 c1ccc2[nH]c(cc2c1)SCCC3CCCCC3 62a_100012355289_100010232065 [0,0,0,0,0,1|2,0,1]=4 76 B20R3.30260 c1ccc2oc(cc2c1)SCCC3CCCCC3 62a_100012355289_100010159458 [0,0,0,0,0,1|2,1,0]=4 77 B20R3.30260 c1ccc2sc(cc2c1)SCCC3CCCCC3 62a_100012355289_100009816949 [0,0,0,0,0,1|2,0,0]=3 78 B20R3.30260 c1ccc2sc(cc2c1)SCOC3CCCCC3 62a_100011935260_100009816949 [0,0,0,0,0,1|2,0,0]=3 79 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCCCC3 62a_100000211423_100000766747 [0,0,0,0,0,1|1,0,0]=2 80 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCCCC3 62a_100011217541_100000211423 [0,0,0,0,0,1|1,0,0]=2 81 B20R3.30260 c1ccc2sc(nc2c1)SCCC3CCCCC3 62a_100012355289_100000751744 [0,0,0,0,0,1|1,0,0]=2 82 B20R3.1869421 c1ccc2[nH]c(cc2c1)SCC3CCCCCC3 62a_200000696569_100010232065 [0,0,0,0,0,1|2,0,1]=4 83 B20R3.1869421 c1ccc2oc(cc2c1)SCC3CCCCCC3 62a_200000696569_100010159458 [0,0,0,0,0,1|2,1,0]=4 84 B20R3.1869421 c1ccc2sc(cc2c1)SCC3CCCCCC3 62a_200000696569_100009816949 [0,0,0,0,0,1|2,0,0]=3 85 B20R3.1869421 c1ccc2sc(nc2c1)CSC3CCCCCC3 62a_100011217541_100011217769 [0,0,0,0,0,1|2,0,0]=3 86 B20R3.1869421 c1ccc2sc(nc2c1)CSC3CCCCCC3 62a_100011217769_100000766747 [0,0,0,0,0,1|2,0,0]=3 87 B20R3.1869421 c1ccc2sc(nc2c1)SCC3CCCCCC3 62a_200000696569_100000751744 [0,0,0,0,0,1|1,0,0]=2 88 B17R2.2134 CCCC(C)CSc1cc2ccccc2s1 62a_100011216630_100009816949 [1,0,1,0,0,0|2,0,0]=4 89 B17R2.2569 CCCCCCSc1cc2ccccc2o1 62a_100000210314_100010159458 [1,0,1,0,0,0|1,1,0]=4 90 B17R2.2569 CCCCCCSc1cc2ccccc2s1 62a_100000210314_100009816949 [1,0,1,0,0,0|1,0,0]=3 91 B17R2.2569 FCCCCCSc1cc2ccccc2s1 62a_100000729378_100009816949 [1,0,1,0,0,0|2,0,0]=4 92 B17R2.2382 c1ccc(cc1)SCSCC2CCCCC2 62a_100000211423_100011218342 [1,0,1,0,0,0|1,0,1]=4 93 B17R2.2382 c1ccc(cc1)SCSCC2CCCCC2 62a_100011218342_100000211423 [1,0,1,0,0,0|1,0,1]=4 94 B17R2.5532 CCC(CC)CSc1cc2ccccc2s1 62a_100011215472_100009816949 [1,0,1,0,0,0|2,0,0]=4 95 B19R2.1465 CCCCC(C)NCc1cc2cc(ccc2s1)Br 207a_100000126638_100010238522 [0,1,1,0,0,0|2,0,0]=4 96 B19R2.1465 CCCCC(C)NCc1cc2cc(ccc2s1)Br 270004a_100000126638_100010238522 [0,1,1,0,0,0|2,0,0]=4 97 B19R2.1465 CCCCC(C)NCc1cc2cc(ccc2s1)Cl 207a_100000126638_200000119088 [0,1,1,0,0,0|2,0,0]=4 98 B19R2.1465 CCCCC(C)NCc1cc2cc(ccc2s1)Cl 270004a_100000126638_200000119088 [0,1,1,0,0,0|2,0,0]=4 99 B19R2.1465 CCCCC(C)NCc1cc2ccc(cc2s1)Br 207a_100000126638_100009814784 [0,1,1,0,0,0|2,0,0]=4 100 B19R2.1465 CCCCC(C)NCc1cc2ccc(cc2s1)Br 270004a_100000126638_100009814784 [0,1,1,0,0,0|2,0,0]=4 101 B19R2.1467 CCCCC(C)NCc1sc2ccccc2c1Br 207a_100000126638_100009816528 [0,1,1,0,0,0|2,0,0]=4 102 B19R2.1467 CCCCC(C)NCc1sc2ccccc2c1Cl 207a_100000126638_100000017830 [0,1,1,0,0,0|2,0,0]=4 103 B19R2.1467 CCCCC(C)NCc1sc2ccccc2c1Cl 2230a_100000126638_100000021718 [0,1,1,0,0,0|2,0,0]=4 104 B19R2.1467 CCCCC(C)NCc1sc2ccccc2c1Cl 2230a_200015185765_200011215066 [0,1,1,0,0,0|2,0,0]=4 105 B19R2.1467 CCCCC(C)NCc1sc2ccccc2c1Cl 270004a_100000126638_100000017830 [0,1,1,0,0,0|2,0,0]=4 106 B19R2.1467 CCCCC(C)NCc1sc2ccccc2c1Cl 270004a_200015185765_100000210087 [0,1,1,0,0,0|2,0,0]=4 107 B19R2.1474 CCCCC(C)NCc1cc2c(cccc2s1)Br 207a_100000126638_100010109917 [0,1,1,0,0,0|2,0,0]=4 108 B19R2.1474 CCCCC(C)NCc1cc2c(cccc2s1)Br 270004a_100000126638_100010109917 [0,1,1,0,0,0|2,0,0]=4 109 B19R2.1474 CCCCC(C)NCc1cc2c(cccc2s1)Cl 207a_100000126638_100000117544 [0,1,1,0,0,0|2,0,0]=4 110 B19R2.1474 CCCCC(C)NCc1cc2c(cccc2s1)Cl 270004a_100000126638_100000117544 [0,1,1,0,0,0|2,0,0]=4 111 B19R2.1474 CCCCC(C)NCc1cc2cccc(c2s1)Br 207a_100000126638_100010110135 [0,1,1,0,0,0|2,0,0]=4 112 B19R2.1474 CCCCC(C)NCc1cc2cccc(c2s1)Br 270004a_100000126638_100010110135 [0,1,1,0,0,0|2,0,0]=4 113 B19R2.2352 CCCCCC(C)SCc1nc2ccccc2s1 62a_100011217541_200011218191 [0,1,1,0,0,0|2,0,0]=4 114 B19R2.2352 CCCCCC(C)SCc1nc2ccccc2s1 62a_200011218191_100000766747 [0,1,1,0,0,0|2,0,0]=4 115 B19R2.44512 CCCC[Si](C)(C)CSc1nc2ccccc2s1 62a_200000073895_100000751744 [0,1,1,0,0,0|1,1,0]=4 116 B19R2.46001 CCCCC(C)NC(C)c1cc2ccccc2s1 269862a_100000126638_100011216072 [0,1,1,0,0,0|2,0,0]=4 117 B19R2.112266 CC(C)CCC(C)SCc1nc2ccccc2s1 62a_100011217541_100011261404 [0,1,1,0,0,0|2,0,0]=4 118 B19R2.112266 CC(C)CCC(C)SCc1nc2ccccc2s1 62a_100011261404_100000766747 [0,1,1,0,0,0|2,0,0]=4 119 B19R2.117586 CCCCC(CC)CSc1nc2ccccc2s1 62a_100000211942_100000751744 [0,1,1,0,0,0|1,0,0]=3 120 B19R2.117586 CCCCC(CC)CSc1nc2cccnc2s1 62a_100000211942_100010188088 [0,1,1,0,0,0|2,0,0]=4 121 B19R2.117586 CCCCC(CC)CSc1nc2cccnc2s1 62a_100010188088_100000211942 [0,1,1,0,0,0|2,0,0]=4 122 B19R2.117586 CCCCC(CC)SCc1nc2ccccc2s1 62a_100011217541_200011216223 [0,1,1,0,0,0|2,0,0]=4 123 B19R2.117586 CCCCC(CC)SCc1nc2ccccc2s1 62a_200011216223_100000766747 [0,1,1,0,0,0|2,0,0]=4 124 B19R2.4701 CCCC(CC)NCc1cc2cc(ccc2s1)Br 207a_100000747048_100010238522 [0,1,1,0,0,0|2,0,0]=4 125 B19R2.4701 CCCC(CC)NCc1cc2cc(ccc2s1)Br 270004a_100000747048_100010238522 [0,1,1,0,0,0|2,0,0]=4 126 B19R2.4701 CCCC(CC)NCc1cc2cc(ccc2s1)Cl 207a_100000747048_200000119088 [0,1,1,0,0,0|2,0,0]=4 127 B19R2.4701 CCCC(CC)NCc1cc2cc(ccc2s1)Cl 270004a_100000747048_200000119088 [0,1,1,0,0,0|2,0,0]=4 128 B19R2.4701 CCCC(CC)NCc1cc2ccc(cc2s1)Br 207a_100000747048_100009814784 [0,1,1,0,0,0|2,0,0]=4 129 B19R2.4701 CCCC(CC)NCc1cc2ccc(cc2s1)Br 270004a_100000747048_100009814784 [0,1,1,0,0,0|2,0,0]=4 130 B19R2.4703 CCCC(CC)NCc1sc2ccccc2c1Br 207a_100000747048_100009816528 [0,1,1,0,0,0|2,0,0]=4 131 B19R2.4703 CCCC(CC)NCc1sc2ccccc2c1Cl 207a_100000747048_100000017830 [0,1,1,0,0,0|2,0,0]=4 132 B19R2.4703 CCCC(CC)NCc1sc2ccccc2c1Cl 2230a_100000747048_100000021718 [0,1,1,0,0,0|2,0,0]=4 133 B19R2.4703 CCCC(CC)NCc1sc2ccccc2c1Cl 270004a_100000747048_100000017830 [0,1,1,0,0,0|2,0,0]=4 134 B19R2.4703 CCCC(CC)NCc1sc2ccccc2c1Cl 270004a_200015185765_100000687865 [0,1,1,0,0,0|2,0,0]=4 135 B19R2.4710 CCCC(CC)NCc1cc2c(cccc2s1)Br 207a_100000747048_100010109917 [0,1,1,0,0,0|2,0,0]=4 136 B19R2.4710 CCCC(CC)NCc1cc2c(cccc2s1)Br 270004a_100000747048_100010109917 [0,1,1,0,0,0|2,0,0]=4 137 B19R2.4710 CCCC(CC)NCc1cc2c(cccc2s1)Cl 207a_100000747048_100000117544 [0,1,1,0,0,0|2,0,0]=4 138 B19R2.4710 CCCC(CC)NCc1cc2c(cccc2s1)Cl 270004a_100000747048_100000117544 [0,1,1,0,0,0|2,0,0]=4 139 B19R2.4710 CCCC(CC)NCc1cc2cccc(c2s1)Br 207a_100000747048_100010110135 [0,1,1,0,0,0|2,0,0]=4 140 B19R2.4710 CCCC(CC)NCc1cc2cccc(c2s1)Br 270004a_100000747048_100010110135 [0,1,1,0,0,0|2,0,0]=4 141 B19R2.116019 CCCC(CC)NC(C)c1cc2ccccc2s1 269862a_100000747048_100011216072 [0,1,1,0,0,0|2,0,0]=4 142 B19R2.121686 CCCC(CCC)SCc1nc2ccccc2s1 62a_100011217541_200011218217 [0,1,1,0,0,0|2,0,0]=4 143 B19R2.121686 CCCC(CCC)SCc1nc2ccccc2s1 62a_200011218217_100000766747 [0,1,1,0,0,0|2,0,0]=4 144 B19R2.123382 CCCC(C)(CC)SCc1nc2ccccc2s1 62a_100011217541_200000040151 [0,1,1,0,0,0|2,0,0]=4 145 B19R2.123382 CCCC(C)(CC)SCc1nc2ccccc2s1 62a_200000040151_100000766747 [0,1,1,0,0,0|2,0,0]=4 146 B19R2.1283 CCCCCCC=Cc1nc2cc(ccc2s1)F 271570a_200015348155_200010206605 [0,1,1,0,0,0|2,0,0]=4 147 B19R2.1283 CCCCCCC=Cc1nc2ccc(cc2s1)C 271570a_200015348155_100010186437 [0,1,1,0,0,0|2,0,0]=4 148 B19R2.1283 CCCCCCC=Cc1nc2ccc(cc2s1)F 271570a_200015348155_100000751617 [0,1,1,0,0,0|2,0,0]=4 149 B19R2.1283 CCCCCCCSc1nc2cc(ccc2s1)F 62a_100000210614_200010206605 [0,1,1,0,0,0|1,0,0]=3 150 B19R2.1283 CCCCCCCSc1nc2cc(ccc2s1)F 62a_200010206605_100000210316 [0,1,1,0,0,0|1,0,0]=3 151 B19R2.1283 CCCCCCCSc1nc2ccc(cc2s1)C 62a_100000210614_100010186437 [0,1,1,0,0,0|1,0,0]=3 152 B19R2.1283 CCCCCCCSc1nc2ccc(cc2s1)F 62a_100000210614_100000751617 [0,1,1,0,0,0|1,0,0]=3 153 B19R2.1283 CCCCCCCSc1nc2ccc(cc2s1)F 62a_100000751617_100000210316 [0,1,1,0,0,0|1,0,0]=3 154 B19R2.1283 CCCCCCCSc1nc2ccc(cc2s1)O 62a_100000210614_100010063415 [0,1,1,0,0,0|1,0,0]=3 155 B19R2.1283 CCCCCCNCc1cc2cc(ccc2s1)Br 207a_100000210581_100010238522 [0,1,1,0,0,0|2,0,0]=4 156 B19R2.1283 CCCCCCNCc1cc2cc(ccc2s1)Br 270004a_100000210581_100010238522 [0,1,1,0,0,0|2,0,0]=4 157 B19R2.1283 CCCCCCNCc1cc2cc(ccc2s1)Cl 207a_100000210581_200000119088 [0,1,1,0,0,0|2,0,0]=4 158 B19R2.1283 CCCCCCNCc1cc2cc(ccc2s1)Cl 270004a_100000210581_200000119088 [0,1,1,0,0,0|2,0,0]=4 159 B19R2.1283 CCCCCCNCc1cc2ccc(cc2s1)Br 207a_100000210581_100009814784 [0,1,1,0,0,0|2,0,0]=4 160 B19R2.1283 CCCCCCNCc1cc2ccc(cc2s1)Br 270004a_100000210581_100009814784 [0,1,1,0,0,0|2,0,0]=4 161 B19R2.1283 Cc1ccc2nc(sc2c1)SCCCCCCF 62a_100015922095_100010186437 [0,1,1,0,0,0|2,0,0]=4 162 B19R2.1283 FCCCCCCSc1nc2cc(ccc2s1)F 62a_100015922095_200010206605 [0,1,1,0,0,0|2,0,0]=4 163 B19R2.1283 FCCCCCCSc1nc2cc(ccc2s1)F 62a_200010206605_100015922095 [0,1,1,0,0,0|2,0,0]=4 164 B19R2.1283 FCCCCCCSc1nc2ccc(cc2s1)F 62a_100000751617_100015922095 [0,1,1,0,0,0|2,0,0]=4 165 B19R2.1283 FCCCCCCSc1nc2ccc(cc2s1)F 62a_100015922095_100000751617 [0,1,1,0,0,0|2,0,0]=4 166 B19R2.1288 CCCCCCC=Cc1nc2c(cccc2s1)C 271570a_200015348155_100010008827 [0,1,1,0,0,0|2,0,0]=4 167 B19R2.1288 CCCCCCC=Cc1nc2c(cccc2s1)F 271570a_200015348155_100010008856 [0,1,1,0,0,0|2,0,0]=4 168 B19R2.1288 CCCCCCCSc1nc2c(cccc2s1)C 62a_100000210614_100010008827 [0,1,1,0,0,0|1,0,0]=3 169 B19R2.1288 CCCCCCCSc1nc2c(cccc2s1)F 62a_100000210614_100010008856 [0,1,1,0,0,0|1,0,0]=3 170 B19R2.1288 CCCCCCNCc1cc2c(cccc2s1)Br 207a_100000210581_100010109917 [0,1,1,0,0,0|2,0,0]=4 171 B19R2.1288 CCCCCCNCc1cc2c(cccc2s1)Br 270004a_100000210581_100010109917 [0,1,1,0,0,0|2,0,0]=4 172 B19R2.1288 CCCCCCNCc1cc2c(cccc2s1)Cl 207a_100000210581_100000117544 [0,1,1,0,0,0|2,0,0]=4 173 B19R2.1288 CCCCCCNCc1cc2c(cccc2s1)Cl 270004a_100000210581_100000117544 [0,1,1,0,0,0|2,0,0]=4 174 B19R2.1288 CCCCCCNCc1cc2cccc(c2s1)Br 207a_100000210581_100010110135 [0,1,1,0,0,0|2,0,0]=4 175 B19R2.1288 CCCCCCNCc1cc2cccc(c2s1)Br 270004a_100000210581_100010110135 [0,1,1,0,0,0|2,0,0]=4 176 B19R2.1288 Cc1cccc2c1nc(s2)SCCCCCCF 62a_100015922095_100010008827 [0,1,1,0,0,0|2,0,0]=4 177 B19R2.1288 FCCCCCCSc1nc2c(cccc2s1)F 62a_100015922095_100010008856 [0,1,1,0,0,0|2,0,0]=4 178 B19R2.9156 CCCCCCNCc1sc2ccccc2c1Br 207a_100000210581_100009816528 [0,1,1,0,0,0|2,0,0]=4 179 B19R2.9156 CCCCCCNCc1sc2ccccc2c1Cl 207a_100000210581_100000017830 [0,1,1,0,0,0|2,0,0]=4 180 B19R2.9156 CCCCCCNCc1sc2ccccc2c1Cl 2230a_100000210581_100000021718 [0,1,1,0,0,0|2,0,0]=4 181 B19R2.9156 CCCCCCNCc1sc2ccccc2c1Cl 2230a_200015185765_100000210314 [0,1,1,0,0,0|2,0,0]=4 182 B19R2.9156 CCCCCCNCc1sc2ccccc2c1Cl 270004a_100000210581_100000017830 [0,1,1,0,0,0|2,0,0]=4 183 B19R2.13041 C=CCCCCCCSc1nc2ccccc2s1 62a_100011215473_100000751744 [0,1,1,0,0,0|1,0,1]=4 184 B19R2.13041 CCCCCCCC=Cc1nc2ccccc2s1 271570a_100134823654_100000751744 [0,1,1,0,0,0|2,0,0]=4 185 B19R2.13041 CCCCCCCCNc1nc2ccccc2s1 27a_100000229939_100000751744 [0,1,1,0,0,0|2,0,0]=4 186 B19R2.13041 CCCCCCCCSc1nc2ccccc2[nH]1 62a_100000210759_100009814255 [0,1,1,0,0,0|2,0,0]=4 187 B19R2.13041 CCCCCCCCSc1nc2ccccc2s1 62a_100000210759_100000751744 [0,1,1,0,0,0|1,0,0]=3 188 B19R2.13041 CCCCCCCCSc1nc2cccnc2s1 62a_100000210759_100010188088 [0,1,1,0,0,0|2,0,0]=4 189 B19R2.13041 CCCCCCCCSc1nc2cccnc2s1 62a_100010188088_100000210317 [0,1,1,0,0,0|2,0,0]=4 190 B19R2.13041 CCCCCCCSCc1nc2ccccc2o1 62a_100000210614_100000195508 [0,1,1,0,0,0|1,1,0]=4 191 B19R2.13041 CCCCCCCSCc1nc2ccccc2s1 62a_100000210614_100000766747 [0,1,1,0,0,0|1,0,0]=3 192 B19R2.13041 CCCCCCCSCc1nc2ccccc2s1 62a_100011217541_100000210316 [0,1,1,0,0,0|1,0,0]=3 193 B19R2.13041 COCCCCCCSc1cc2ccccc2s1 62a_100011998445_100009816949 [0,1,1,0,0,0|2,0,0]=4 194 B19R2.13041 FCCCCCCSCc1nc2ccccc2s1 62a_100011217541_100015922095 [0,1,1,0,0,0|2,0,0]=4 195 B19R2.13041 FCCCCCCSCc1nc2ccccc2s1 62a_100015922095_100000766747 [0,1,1,0,0,0|2,0,0]=4 196 B19R2.13487 CC(C)CCCCCSc1nc2ccccc2s1 62a_100000210682_100000751744 [0,1,1,0,0,0|1,0,0]=3 197 B19R2.13487 CC(C)CCCCCSc1nc2cccnc2s1 62a_100000210682_100010188088 [0,1,1,0,0,0|2,0,0]=4 198 B19R2.13487 CC(C)CCCCCSc1nc2cccnc2s1 62a_100010188088_100000210682 [0,1,1,0,0,0|2,0,0]=4 199 B19R2.13487 CC(C)CCCCSCc1nc2ccccc2s1 62a_100011216152_100000766747 [0,1,1,0,0,0|2,0,0]=4 200 B19R2.13487 CC(C)CCCCSCc1nc2ccccc2s1 62a_100011217541_100011216152 [0,1,1,0,0,0|2,0,0]=4 201 B19R2.20961 CCCCCCC(C)Nc1nc2ccccc2s1 27a_100000210919_100000751744 [0,1,1,0,0,0|2,0,0]=4 202 B19R2.20961 CCCCCCC(C)Sc1nc2ccccc2[nH]1 62a_100011215978_100009814255 [0,1,1,0,0,0|2,0,0]=4 203 B19R2.20961 CCCCCCC(C)Sc1nc2ccccc2s1 62a_100011215978_100000751744 [0,1,1,0,0,0|1,0,0]=3 204 B19R2.20961 CCCCCCC(C)Sc1nc2cccnc2s1 62a_100010188088_100011215978 [0,1,1,0,0,0|2,0,0]=4 205 B19R2.20961 CCCCCCC(C)Sc1nc2cccnc2s1 62a_100011215978_100010188088 [0,1,1,0,0,0|2,0,0]=4 206 B19R2.52042 CCCCCCNC(C)c1cc2ccccc2s1 269862a_100000210581_100011216072 [0,1,1,0,0,0|2,0,0]=4 207 B19R3.6053 Brc1c(sc2c1cccc2)SCC3CCCC3 62a_100000740388_100015504031 [0,1,0,0,1,0|2,0,0]=4 208 B19R3.6053 Brc1c(sc2c1cccc2)SCC3CCCC3 62a_100015504031_100000740388 [0,1,0,0,1,0|2,0,0]=4 209 B19R3.6053 Cc1c(sc2c1cccc2)SCC3CCCC3 62a_100000740388_200010198769 [0,1,0,0,1,0|2,0,0]=4 210 B19R3.55731 Brc1ccc2sc(cc2c1)SCC3CCCC3 62a_100000740388_200010198765 [0,1,0,0,1,0|2,0,0]=4 211 B19R3.55731 Brc1ccc2sc(cc2c1)SCC3CCCC3 62a_200010198765_100000740388 [0,1,0,0,1,0|2,0,0]=4 212 B19R3.182 Brc1c(sc2c1cccc2)SC3CCSCC3 62a_100015504031_100000069128 [0,1,0,0,1,0|2,0,0]=4 213 B19R3.182 Cc1c(sc2c1cccc2)SC3CCCCC3 62a_100000210327_200010198769 [0,1,0,0,1,0|1,0,0]=3 214 B19R3.8304 Brc1cccc2c1[nH]c(c2)SC3CCCCC3 62a_100000210327_100135389745 [0,1,0,0,1,0|1,0,1]=4 215 B19R3.8304 Brc1cccc2c1[nH]c(c2)SC3CCCCC3 62a_100135389745_100000210327 [0,1,0,0,1,0|1,0,1]=4 216 B19R3.8304 Cc1cccc2c1nc(s2)SC3CCCCC3 62a_100000210327_100010008827 [0,1,0,0,1,0|0,0,0]=2 217 B19R3.8304 Clc1ccnc2c1sc(c2)SC3CCCCC3 62a_100000210327_100010192579 [0,1,0,0,1,0|2,0,0]=4 218 B19R3.88146 Brc1ccc2[nH]c(cc2c1)SC3CCCCC3 62a_100000210327_100011012855 [0,1,0,0,1,0|1,0,1]=4 219 B19R3.88146 Brc1ccc2[nH]c(cc2c1)SC3CCCCC3 62a_100011012855_100000210327 [0,1,0,0,1,0|1,0,1]=4 220 B19R3.88146 Brc1ccc2sc(cc2c1)SC3CCSCC3 62a_200010198765_100000069128 [0,1,0,0,1,0|2,0,0]=4 221 B19R3.88146 Cc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000210327_100010186437 [0,1,0,0,1,0|0,0,0]=2 222 B19R3.171030 FC1CCCCC1Sc2cc3ccccc3s2 62a_100015423560_100009816949 [0,1,0,0,1,0|1,0,0]=3 223 B21R3.505 Brc1cc2ccccc2nc1SCC3CCCCC3 62a_100000211423_100010072790 [0,1,0,0,0,1|2,0,0]=4 224 B21R3.505 Brc1cc2ccccc2nc1SCC3CCCCC3 62a_100010072790_100000211423 [0,1,0,0,0,1|2,0,0]=4 225 B21R3.505 Cc1cc2ccccc2nc1SCC3CCCCC3 62a_100000211423_100000751756 [0,1,0,0,0,1|2,0,0]=4 226 B21R3.505 Clc1nc2ccccc2cc1SCC3CCCCC3 62a_100000211423_100010220712 [0,1,0,0,0,1|2,0,0]=4 227 B21R3.505 Fc1nc2ccccc2cc1SCC3CCCCC3 62a_100000211423_100011158909 [0,1,0,0,0,1|2,0,0]=4 228 B21R3.505 Fc1nc2ccccc2cc1SCC3CCCCC3 62a_100011158909_100000211423 [0,1,0,0,0,1|2,0,0]=4 229 B21R3.153116 Brc1ccc2ncc(cc2c1)SCC3CCCCC3 62a_100000211423_100010740133 [0,1,0,0,0,1|2,0,0]=4 230 B21R3.153116 Brc1ccc2ncc(cc2c1)SCC3CCCCC3 62a_100010740133_100000211423 [0,1,0,0,0,1|2,0,0]=4 231 B21R3.153116 Cc1ccc2ncc(cc2c1)SCC3CCCCC3 62a_100000211423_100015841224 [0,1,0,0,0,1|2,0,0]=4 232 B21R3.153116 Clc1ccc2ncc(cc2c1)SCC3CCCCC3 62a_100000211423_100015929906 [0,1,0,0,0,1|2,0,0]=4 233 B21R3.153116 Clc1ccc2ncc(cc2c1)SCC3CCCCC3 62a_100015929906_100000211423 [0,1,0,0,0,1|2,0,0]=4 234 B21R3.153116 Fc1ccc2cnc(cc2c1)SCC3CCCCC3 62a_100000211423_100009828686 [0,1,0,0,0,1|2,0,0]=4 235 B21R3.153116 Fc1ccc2cnc(cc2c1)SCC3CCCCC3 62a_100009828686_100000211423 [0,1,0,0,0,1|2,0,0]=4 236 B21R3.153330 Cc1ccc2nc(ccc2c1)SCC3CCCCC3 62a_100000211423_100011865911 [0,1,0,0,0,1|2,0,0]=4 237 B21R3.153330 Cc1ccc2nc(ccc2c1)SCC3CCCCC3 62a_200000181977_100000211423 [0,1,0,0,0,1|2,0,0]=4 238 B21R3.153330 Clc1ccc2cc(cnc2c1)SCC3CCCCC3 62a_100000211423_100015716233 [0,1,0,0,0,1|2,0,0]=4 239 B21R3.153330 Clc1ccc2cc(cnc2c1)SCC3CCCCC3 62a_100015716233_100000211423 [0,1,0,0,0,1|2,0,0]=4 240 B21R3.153330 Fc1ccc2nc(ccc2c1)SCC3CCCCC3 62a_100000211423_100011998705 [0,1,0,0,0,1|2,0,0]=4 241 B21R3.153330 Fc1ccc2nc(ccc2c1)SCC3CCCCC3 62a_200012355665_100000211423 [0,1,0,0,0,1|2,0,0]=4 242 B21R3.397713 Brc1cccc2c1ncc(c2)SCC3CCCCC3 62a_100000211423_100010204298 [0,1,0,0,0,1|2,0,0]=4 243 B21R3.397713 Brc1cccc2c1ncc(c2)SCC3CCCCC3 62a_100010204298_100000211423 [0,1,0,0,0,1|2,0,0]=4 244 B21R3.397713 Cc1cccc2c1ncc(c2)SCC3CCCCC3 62a_100000211423_100009829671 [0,1,0,0,0,1|2,0,0]=4 245 B21R3.397713 Clc1cccc2c1ncc(c2)SCC3CCCCC3 62a_100000211423_100000759377 [0,1,0,0,0,1|2,0,0]=4 246 B21R3.397713 Fc1cccc2c1ncc(c2)SCC3CCCCC3 62a_100000049890_100000211423 [0,1,0,0,0,1|2,0,0]=4 247 B21R3.397713 Fc1cccc2c1ncc(c2)SCC3CCCCC3 62a_100000211423_100000049890 [0,1,0,0,0,1|2,0,0]=4 248 B21R3.444247 Cc1cc(nc2c1cccc2)SCC3CCCCC3 62a_100000211423_100000184993 [0,1,0,0,0,1|2,0,0]=4 249 B21R3.444247 Cc1cc(nc2c1cccc2)SCC3CCCCC3 62a_100012354972_100000211423 [0,1,0,0,0,1|2,0,0]=4 250 B21R3.3944604 Clc1c(cnc2c1cccc2)SCC3CCCCC3 62a_100000211423_100012352519 [0,1,0,0,0,1|2,0,0]=4 251 B21R3.6681832 Cc1cccc2c1nc(cc2)SCC3CCCCC3 62a_100000211423_100012002297 [0,1,0,0,0,1|2,0,0]=4 252 B21R3.6681832 Fc1cccc2c1nc(cc2)SCC3CCCCC3 62a_100000211423_100012017632 [0,1,0,0,0,1|2,0,0]=4 253 B21R3.13048 Brc1c(sc2c1cccc2)CNCC3CCCCC3 207a_100000210473_100009816528 [0,1,0,0,0,1|2,0,0]=4 254 B21R3.13048 Cc1c(sc2c1cccc2)SCOC3CCCCC3 62a_100011935260_200010198769 [0,1,0,0,0,1|2,0,0]=4 255 B21R3.13048 Clc1c(sc2c1cccc2)CNCC3CCCCC3 207a_100000210473_100000017830 [0,1,0,0,0,1|2,0,0]=4 256 B21R3.13048 Clc1c(sc2c1cccc2)CNCC3CCCCC3 2230a_100000210473_100000021718 [0,1,0,0,0,1|2,0,0]=4 257 B21R3.13048 Clc1c(sc2c1cccc2)CNCC3CCCCC3 2230a_200015185765_100000211423 [0,1,0,0,0,1|2,0,0]=4 258 B21R3.13048 Clc1c(sc2c1cccc2)CNCC3CCCCC3 269862a_200015185765_100000211278 [0,1,0,0,0,1|2,0,0]=4 259 B21R3.13048 Clc1c(sc2c1cccc2)CNCC3CCCCC3 270004a_100000210473_100000017830 [0,1,0,0,0,1|2,0,0]=4 260 B21R3.13048 Clc1c(sc2c1cccc2)CNCC3CCCCC3 34a_100000210473_100000021718 [0,1,0,0,0,1|2,0,0]=4 261 B21R3.24408 O=C(CSc1cc2ccccc2s1)C3CCCCC3 62a_100000241979_100009816949 [0,1,0,0,0,1|2,0,0]=4 262 B21R3.154845 Brc1ccc2[nH]c(nc2c1)CSCC3CCCCC3 62a_100000701424_100000211423 [0,1,0,0,0,1|2,0,0]=4 263 B21R3.154845 Brc1ccc2cc(sc2c1)CNCC3CCCCC3 207a_100000210473_100009814784 [0,1,0,0,0,1|2,0,0]=4 264 B21R3.154845 Brc1ccc2cc(sc2c1)CNCC3CCCCC3 270004a_100000210473_100009814784 [0,1,0,0,0,1|2,0,0]=4 265 B21R3.154845 Brc1ccc2nc(oc2c1)CSCC3CCCCC3 62a_100000211423_100000729449 [0,1,0,0,0,1|1,1,0]=4 266 B21R3.154845 Brc1ccc2nc(oc2c1)CSCC3CCCCC3 62a_100000729449_100000211423 [0,1,0,0,0,1|1,1,0]=4 267 B21R3.154845 Brc1ccc2nc(sc2c1)NN=CC3CCCCC3 4a_100009816745_100000211278 [0,1,0,0,0,1|1,0,1]=4 268 B21R3.154845 Brc1ccc2oc(nc2c1)CSCC3CCCCC3 62a_100000211423_100000730559 [0,1,0,0,0,1|1,1,0]=4 269 B21R3.154845 Brc1ccc2sc(cc2c1)CNCC3CCCCC3 207a_100000210473_100010238522 [0,1,0,0,0,1|2,0,0]=4 270 B21R3.154845 Brc1ccc2sc(cc2c1)CNCC3CCCCC3 270004a_100000210473_100010238522 [0,1,0,0,0,1|2,0,0]=4 271 B21R3.154845 Cc1ccc2nc(sc2c1)SCCC3CCCCC3 62a_100012355289_100010186437 [0,1,0,0,0,1|1,0,0]=3 272 B21R3.154845 Cc1ccc2nc(sc2c1)SCOC3CCCCC3 62a_100011935260_100010186437 [0,1,0,0,0,1|1,0,0]=3 273 B21R3.154845 Clc1ccc2oc(nc2c1)CSCC3CCCCC3 62a_100000211423_100011222916 [0,1,0,0,0,1|1,1,0]=4 274 B21R3.154845 Clc1ccc2sc(cc2c1)CNCC3CCCCC3 207a_100000210473_200000119088 [0,1,0,0,0,1|2,0,0]=4 275 B21R3.154845 Clc1ccc2sc(cc2c1)CNCC3CCCCC3 270004a_100000210473_200000119088 [0,1,0,0,0,1|2,0,0]=4 276 B21R3.154845 Fc1ccc2nc(sc2c1)SCCC3CCCCC3 62a_100000751617_100012355289 [0,1,0,0,0,1|1,0,0]=3 277 B21R3.154845 Fc1ccc2nc(sc2c1)SCCC3CCCCC3 62a_100012355289_100000751617 [0,1,0,0,0,1|1,0,0]=3 278 B21R3.154845 Fc1ccc2sc(nc2c1)SCCC3CCCCC3 62a_100012355289_200010206605 [0,1,0,0,0,1|1,0,0]=3 279 B21R3.154845 Fc1ccc2sc(nc2c1)SCCC3CCCCC3 62a_200010206605_100012355289 [0,1,0,0,0,1|1,0,0]=3 280 B21R3.154845 Oc1ccc2nc(sc2c1)SCCC3CCCCC3 62a_100012355289_100010063415 [0,1,0,0,0,1|1,0,0]=3 281 B21R3.393380 Brc1cccc2c1cc(s2)CNCC3CCCCC3 207a_100000210473_100010109917 [0,1,0,0,0,1|2,0,0]=4 282 B21R3.393380 Brc1cccc2c1cc(s2)CNCC3CCCCC3 270004a_100000210473_100010109917 [0,1,0,0,0,1|2,0,0]=4 283 B21R3.393380 Brc1cccc2c1nc(s2)NN=CC3CCCCC3 4a_100009820880_100000211278 [0,1,0,0,0,1|1,0,1]=4 284 B21R3.393380 Brc1cccc2c1sc(c2)CNCC3CCCCC3 207a_100000210473_100010110135 [0,1,0,0,0,1|2,0,0]=4 285 B21R3.393380 Brc1cccc2c1sc(c2)CNCC3CCCCC3 270004a_100000210473_100010110135 [0,1,0,0,0,1|2,0,0]=4 286 B21R3.393380 Cc1cccc2c1nc(s2)SCCC3CCCCC3 62a_100012355289_100010008827 [0,1,0,0,0,1|1,0,0]=3 287 B21R3.393380 Cc1cccc2c1nc(s2)SCOC3CCCCC3 62a_100011935260_100010008827 [0,1,0,0,0,1|1,0,0]=3 288 B21R3.393380 Clc1cccc2c1cc(s2)CNCC3CCCCC3 207a_100000210473_100000117544 [0,1,0,0,0,1|2,0,0]=4 289 B21R3.393380 Clc1cccc2c1cc(s2)CNCC3CCCCC3 270004a_100000210473_100000117544 [0,1,0,0,0,1|2,0,0]=4 290 B21R3.393380 Fc1cccc2c1nc(s2)SCCC3CCCCC3 62a_100012355289_100010008856 [0,1,0,0,0,1|1,0,0]=3 291 B21R3.2280253 CC(NCC1CCCCC1)c2cc3ccccc3s2 269862a_100000210473_100011216072 [0,1,0,0,0,1|2,0,0]=4 292 B21R3.248685 Brc1c(sc2c1cccc2)CNC3CCCCCC3 207a_100000210984_100009816528 [0,1,0,0,0,1|2,0,0]=4 293 B21R3.248685 Cc1c(sc2c1cccc2)CNC3CCCCCC3 207a_100000210984_100000038699 [0,1,0,0,0,1|2,0,0]=4 294 B21R3.248685 Cc1c(sc2c1cccc2)CNC3CCCCCC3 270004a_100000210984_100000038699 [0,1,0,0,0,1|2,0,0]=4 295 B21R3.248685 Clc1c(sc2c1cccc2)CNC3CCCCCC3 207a_100000210984_100000017830 [0,1,0,0,0,1|2,0,0]=4 296 B21R3.248685 Clc1c(sc2c1cccc2)CNC3CCCCCC3 2230a_100000210984_100000021718 [0,1,0,0,0,1|2,0,0]=4 297 B21R3.248685 Clc1c(sc2c1cccc2)CNC3CCCCCC3 270004a_100000210984_100000017830 [0,1,0,0,0,1|2,0,0]=4 298 B21R3.248685 Clc1c(sc2c1cccc2)CNC3CCCCCC3 270004a_200015185765_100000210131 [0,1,0,0,0,1|2,0,0]=4 299 B21R3.248685 Clc1c(sc2c1cccc2)CNC3CCCCCC3 34a_100000210984_100000021718 [0,1,0,0,0,1|2,0,0]=4 300 B21R3.6745369 Brc1cccc2c1cc(s2)CNC3CCCCCC3 207a_100000210984_100010109917 [0,1,0,0,0,1|2,0,0]=4 301 B21R3.6745369 Brc1cccc2c1cc(s2)CNC3CCCCCC3 270004a_100000210984_100010109917 [0,1,0,0,0,1|2,0,0]=4 302 B21R3.6745369 Brc1cccc2c1sc(c2)CNC3CCCCCC3 207a_100000210984_100010110135 [0,1,0,0,0,1|2,0,0]=4 303 B21R3.6745369 Brc1cccc2c1sc(c2)CNC3CCCCCC3 270004a_100000210984_100010110135 [0,1,0,0,0,1|2,0,0]=4 304 B21R3.6745369 Cc1cccc2c1nc(s2)SCC3CCCCCC3 62a_200000696569_100010008827 [0,1,0,0,0,1|1,0,0]=3 305 B21R3.6745369 Clc1cccc2c1cc(s2)CNC3CCCCCC3 207a_100000210984_100000117544 [0,1,0,0,0,1|2,0,0]=4 306 B21R3.6745369 Clc1cccc2c1cc(s2)CNC3CCCCCC3 270004a_100000210984_100000117544 [0,1,0,0,0,1|2,0,0]=4 307 B21R3.6745369 Fc1cccc2c1nc(s2)SCC3CCCCCC3 62a_200000696569_100010008856 [0,1,0,0,0,1|1,0,0]=3 308 B21R3.8008928 CN(Cc1cc2ccccc2s1)C3CCCCCC3 269982a_100015183267_100011217769 [0,1,0,0,0,1|2,0,0]=4 309 B21R3.8008928 CN(Cc1cc2ccccc2s1)C3CCCCCC3 270004a_100015183267_100000210131 [0,1,0,0,0,1|2,0,0]=4 310 B21R3.8008928 CN(Cc1cc2ccccc2s1)C3CCCCCC3 270004a_100015185097_100000686906 [0,1,0,0,0,1|2,0,0]=4 311 B21R3.25251354 CC1(CCCCCC1)NCc2cc3ccccc3s2 207a_100000704638_100000686906 [0,1,0,0,0,1|2,0,0]=4 312 B21R3.25251354 CC1(CCCCCC1)NCc2cc3ccccc3s2 270004a_100000704638_100000686906 [0,1,0,0,0,1|2,0,0]=4 313 B21R3.28029735 Brc1ccc2cc(sc2c1)CNC3CCCCCC3 207a_100000210984_100009814784 [0,1,0,0,0,1|2,0,0]=4 314 B21R3.28029735 Brc1ccc2cc(sc2c1)CNC3CCCCCC3 270004a_100000210984_100009814784 [0,1,0,0,0,1|2,0,0]=4 315 B21R3.28029735 Brc1ccc2sc(cc2c1)CNC3CCCCCC3 207a_100000210984_100010238522 [0,1,0,0,0,1|2,0,0]=4 316 B21R3.28029735 Brc1ccc2sc(cc2c1)CNC3CCCCCC3 270004a_100000210984_100010238522 [0,1,0,0,0,1|2,0,0]=4 317 B21R3.28029735 Cc1ccc2nc(sc2c1)SCC3CCCCCC3 62a_200000696569_100010186437 [0,1,0,0,0,1|1,0,0]=3 318 B21R3.28029735 Cc1ccc2sc(cc2c1)CNC3CCCCCC3 207a_100000210984_100000050833 [0,1,0,0,0,1|2,0,0]=4 319 B21R3.28029735 Cc1ccc2sc(cc2c1)CNC3CCCCCC3 270004a_100000210984_100000050833 [0,1,0,0,0,1|2,0,0]=4 320 B21R3.28029735 Clc1ccc2sc(cc2c1)CNC3CCCCCC3 207a_100000210984_200000119088 [0,1,0,0,0,1|2,0,0]=4 321 B21R3.28029735 Clc1ccc2sc(cc2c1)CNC3CCCCCC3 270004a_100000210984_200000119088 [0,1,0,0,0,1|2,0,0]=4 322 B21R3.28029735 Fc1ccc2nc(sc2c1)SCC3CCCCCC3 62a_100000751617_200000696569 [0,1,0,0,0,1|1,0,0]=3 323 B21R3.28029735 Fc1ccc2nc(sc2c1)SCC3CCCCCC3 62a_200000696569_100000751617 [0,1,0,0,0,1|1,0,0]=3 324 B21R3.28029735 Fc1ccc2sc(nc2c1)SCC3CCCCCC3 62a_200000696569_200010206605 [0,1,0,0,0,1|1,0,0]=3 325 B21R3.28029735 Fc1ccc2sc(nc2c1)SCC3CCCCCC3 62a_200010206605_200000696569 [0,1,0,0,0,1|1,0,0]=3 326 B21R3.28029735 Oc1ccc2nc(sc2c1)SCC3CCCCCC3 62a_200000696569_100010063415 [0,1,0,0,0,1|1,0,0]=3 327 B21R3.43738356 CC(NC1CCCCCC1)c2cc3ccccc3s2 269862a_100000210984_100011216072 [0,1,0,0,0,1|2,0,0]=4 328 B21R3.7872 CC1CCCC(C1)NCc2sc3ccccc3c2Br 207a_100011194320_100009816528 [0,2,0,0,0,0|2,0,0]=4 329 B21R3.7872 CC1CCCC(C1)NCc2sc3ccccc3c2Cl 207a_100011194320_100000017830 [0,2,0,0,0,0|2,0,0]=4 330 B21R3.7872 CC1CCCC(C1)NCc2sc3ccccc3c2Cl 2230a_100011194320_100000021718 [0,2,0,0,0,0|2,0,0]=4 331 B21R3.7872 CC1CCCC(C1)NCc2sc3ccccc3c2Cl 270004a_100011194320_100000017830 [0,2,0,0,0,0|2,0,0]=4 332 B21R3.7872 CC1CCCC(C1)NCc2sc3ccccc3c2Cl 270004a_200015185765_100000183594 [0,2,0,0,0,0|2,0,0]=4 333 B21R3.7872 CC1CCCC(C1)NCc2sc3ccccc3c2Cl 34a_100011194320_100000021718 [0,2,0,0,0,0|2,0,0]=4 334 B21R3.8338 CC1CCCCC1NCc2sc3ccccc3c2Br 207a_100000211402_100009816528 [0,2,0,0,0,0|2,0,0]=4 335 B21R3.8338 CC1CCCCC1NCc2sc3ccccc3c2Cl 207a_100000211402_100000017830 [0,2,0,0,0,0|2,0,0]=4 336 B21R3.8338 CC1CCCCC1NCc2sc3ccccc3c2Cl 2230a_100000211402_100000021718 [0,2,0,0,0,0|2,0,0]=4 337 B21R3.8338 CC1CCCCC1NCc2sc3ccccc3c2Cl 269862a_200015185765_100000210921 [0,2,0,0,0,0|2,0,0]=4 338 B21R3.8338 CC1CCCCC1NCc2sc3ccccc3c2Cl 270004a_100000211402_100000017830 [0,2,0,0,0,0|2,0,0]=4 339 B21R3.8338 CC1CCCCC1NCc2sc3ccccc3c2Cl 270004a_200015185765_100000210921 [0,2,0,0,0,0|2,0,0]=4 340 B21R3.8338 CC1CCCCC1NCc2sc3ccccc3c2Cl 34a_100000211402_100000021718 [0,2,0,0,0,0|2,0,0]=4 341 B21R3.8338 F[C@@H]1CCCC[C@H]1NCc2sc3ccccc3c2Br 207a_100015195156_100009816528 [0,2,0,0,0,0|2,0,0]=4 342 B21R3.13071 Cc1c(sc2c1cccc2)C(C)NC3CCCCC3 269862a_100000182618_100000217036 [0,2,0,0,0,0|2,0,0]=4 343 B21R3.13081 CN(Cc1sc2ccccc2c1Cl)C3CCCCC3 2230a_100000207522_100000021718 [0,2,0,0,0,0|2,0,0]=4 344 B21R3.13081 CN(Cc1sc2ccccc2c1Cl)C3CCCCC3 269982a_100000207522_100000021718 [0,2,0,0,0,0|2,0,0]=4 345 B21R3.13081 CN(Cc1sc2ccccc2c1Cl)C3CCCCC3 269982a_200015186408_100000210327 [0,2,0,0,0,0|2,0,0]=4 346 B21R3.13081 CN(Cc1sc2ccccc2c1Cl)C3CCCCC3 270004a_100000207522_100000017830 [0,2,0,0,0,0|2,0,0]=4 347 B21R3.13081 CN(Cc1sc2ccccc2c1Cl)C3CCCCC3 270004a_200015186408_100000210434 [0,2,0,0,0,0|2,0,0]=4 348 B21R3.13081 CN(Cc1sc2ccccc2c1Cl)C3CCCCC3 34a_100000207522_100000021718 [0,2,0,0,0,0|2,0,0]=4 349 B21R3.29713 CC1CCC(CC1)NCc2sc3ccccc3c2Cl 270004a_200015185765_100000185489 [0,2,0,0,0,0|2,0,0]=4 350 B21R3.29713 C[C@H]1CC[C@@H](CC1)NCc2sc3ccccc3c2Br 207a_100020625639_100009816528 [0,2,0,0,0,0|2,0,0]=4 351 B21R3.29713 C[C@H]1CC[C@@H](CC1)NCc2sc3ccccc3c2Cl 207a_100020625639_100000017830 [0,2,0,0,0,0|2,0,0]=4 352 B21R3.29713 C[C@H]1CC[C@@H](CC1)NCc2sc3ccccc3c2Cl 2230a_100020625639_100000021718 [0,2,0,0,0,0|2,0,0]=4 353 B21R3.29713 C[C@H]1CC[C@@H](CC1)NCc2sc3ccccc3c2Cl 270004a_100020625639_100000017830 [0,2,0,0,0,0|2,0,0]=4 354 B21R3.29713 C[C@H]1CC[C@@H](CC1)NCc2sc3ccccc3c2Cl 34a_100020625639_100000021718 [0,2,0,0,0,0|2,0,0]=4 355 B21R3.4973811 CC1(CCCCC1)NCc2sc3ccccc3c2Br 207a_100000741114_100009816528 [0,2,0,0,0,0|2,0,0]=4 356 B21R3.4973811 CC1(CCCCC1)NCc2sc3ccccc3c2Cl 207a_100000741114_100000017830 [0,2,0,0,0,0|2,0,0]=4 357 B21R3.4973811 CC1(CCCCC1)NCc2sc3ccccc3c2Cl 2230a_100000741114_100000021718 [0,2,0,0,0,0|2,0,0]=4 358 B21R3.4973811 CC1(CCCCC1)NCc2sc3ccccc3c2Cl 270004a_100000741114_100000017830 [0,2,0,0,0,0|2,0,0]=4 359 B21R3.4973811 CC1(CCCCC1)NCc2sc3ccccc3c2Cl 34a_100000741114_100000021718 [0,2,0,0,0,0|2,0,0]=4 360 B21R3.4973811 Cc1c(sc2c1cccc2)CNC3(CCCCC3)C 207a_100000741114_100000038699 [0,2,0,0,0,0|2,0,0]=4 361 B21R3.4973811 Cc1c(sc2c1cccc2)CNC3(CCCCC3)C 270004a_100000741114_100000038699 [0,2,0,0,0,0|2,0,0]=4 362 B21R3.2502 CCN(Cc1cc2ccccc2s1)C3CCCCC3 270004a_100000201195_100000686906 [0,2,0,0,0,0|2,0,0]=4 363 B21R3.2502 CC[C@H](Nc1nc2ccccc2s1)C3CCCCC3 27a_100020639352_100000751744 [0,2,0,0,0,0|2,0,0]=4 364 B21R3.154841 CN(Cc1cc2cc(ccc2s1)Br)C3CCCCC3 270004a_100000207522_100010238522 [0,2,0,0,0,0|2,0,0]=4 365 B21R3.154841 CN(Cc1cc2cc(ccc2s1)Cl)C3CCCCC3 270004a_100000207522_200000119088 [0,2,0,0,0,0|2,0,0]=4 366 B21R3.154841 CN(Cc1cc2ccc(cc2s1)Br)C3CCCCC3 270004a_100000207522_100009814784 [0,2,0,0,0,0|2,0,0]=4 367 B21R3.393376 CN(Cc1cc2c(cccc2s1)Br)C3CCCCC3 270004a_100000207522_100010109917 [0,2,0,0,0,0|2,0,0]=4 368 B21R3.393376 CN(Cc1cc2c(cccc2s1)Cl)C3CCCCC3 270004a_100000207522_100000117544 [0,2,0,0,0,0|2,0,0]=4 369 B21R3.393376 CN(Cc1cc2cccc(c2s1)Br)C3CCCCC3 270004a_100000207522_100010110135 [0,2,0,0,0,0|2,0,0]=4 370 B21R3.469754 CC1CCCC(C1)NCc2cc3cc(ccc3s2)Br 207a_100011194320_100010238522 [0,2,0,0,0,0|2,0,0]=4 371 B21R3.469754 CC1CCCC(C1)NCc2cc3cc(ccc3s2)Br 270004a_100011194320_100010238522 [0,2,0,0,0,0|2,0,0]=4 372 B21R3.469754 CC1CCCC(C1)NCc2cc3cc(ccc3s2)Cl 207a_100011194320_200000119088 [0,2,0,0,0,0|2,0,0]=4 373 B21R3.469754 CC1CCCC(C1)NCc2cc3cc(ccc3s2)Cl 270004a_100011194320_200000119088 [0,2,0,0,0,0|2,0,0]=4 374 B21R3.469754 CC1CCCC(C1)NCc2cc3ccc(cc3s2)Br 207a_100011194320_100009814784 [0,2,0,0,0,0|2,0,0]=4 375 B21R3.469754 CC1CCCC(C1)NCc2cc3ccc(cc3s2)Br 270004a_100011194320_100009814784 [0,2,0,0,0,0|2,0,0]=4 376 B21R3.469755 CC1CCCC(C1)NCc2cc3c(cccc3s2)Br 207a_100011194320_100010109917 [0,2,0,0,0,0|2,0,0]=4 377 B21R3.469755 CC1CCCC(C1)NCc2cc3c(cccc3s2)Br 270004a_100011194320_100010109917 [0,2,0,0,0,0|2,0,0]=4 378 B21R3.469755 CC1CCCC(C1)NCc2cc3c(cccc3s2)Cl 207a_100011194320_100000117544 [0,2,0,0,0,0|2,0,0]=4 379 B21R3.469755 CC1CCCC(C1)NCc2cc3c(cccc3s2)Cl 270004a_100011194320_100000117544 [0,2,0,0,0,0|2,0,0]=4 380 B21R3.469755 CC1CCCC(C1)NCc2cc3cccc(c3s2)Br 207a_100011194320_100010110135 [0,2,0,0,0,0|2,0,0]=4 381 B21R3.469755 CC1CCCC(C1)NCc2cc3cccc(c3s2)Br 270004a_100011194320_100010110135 [0,2,0,0,0,0|2,0,0]=4 382 B21R3.7440939 CC1CCCC(C1)NC(C)c2cc3ccccc3s2 269862a_100011194320_100011216072 [0,2,0,0,0,0|2,0,0]=4 383 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3cc(ccc3s2)Br 207a_100020625639_100010238522 [0,2,0,0,0,0|2,0,0]=4 384 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3cc(ccc3s2)Br 270004a_100020625639_100010238522 [0,2,0,0,0,0|2,0,0]=4 385 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3cc(ccc3s2)Cl 207a_100020625639_200000119088 [0,2,0,0,0,0|2,0,0]=4 386 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3cc(ccc3s2)Cl 270004a_100020625639_200000119088 [0,2,0,0,0,0|2,0,0]=4 387 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3ccc(cc3s2)Br 207a_100020625639_100009814784 [0,2,0,0,0,0|2,0,0]=4 388 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3ccc(cc3s2)Br 270004a_100020625639_100009814784 [0,2,0,0,0,0|2,0,0]=4 389 B21R3.3871600 CC1CCCCC1NCc2cc3cc(ccc3s2)Br 207a_100000211402_100010238522 [0,2,0,0,0,0|2,0,0]=4 390 B21R3.3871600 CC1CCCCC1NCc2cc3cc(ccc3s2)Br 270004a_100000211402_100010238522 [0,2,0,0,0,0|2,0,0]=4 391 B21R3.3871600 CC1CCCCC1NCc2cc3cc(ccc3s2)Cl 207a_100000211402_200000119088 [0,2,0,0,0,0|2,0,0]=4 392 B21R3.3871600 CC1CCCCC1NCc2cc3cc(ccc3s2)Cl 270004a_100000211402_200000119088 [0,2,0,0,0,0|2,0,0]=4 393 B21R3.3871600 CC1CCCCC1NCc2cc3ccc(cc3s2)Br 207a_100000211402_100009814784 [0,2,0,0,0,0|2,0,0]=4 394 B21R3.3871600 CC1CCCCC1NCc2cc3ccc(cc3s2)Br 270004a_100000211402_100009814784 [0,2,0,0,0,0|2,0,0]=4 395 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Br 207a_100015195156_100010238522 [0,2,0,0,0,0|2,0,0]=4 396 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Br 270004a_100015195156_100010238522 [0,2,0,0,0,0|2,0,0]=4 397 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2cc3ccc(cc3s2)Br 207a_100015195156_100009814784 [0,2,0,0,0,0|2,0,0]=4 398 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2cc3ccc(cc3s2)Br 270004a_100015195156_100009814784 [0,2,0,0,0,0|2,0,0]=4 399 B21R3.116761650 CC1(CCCCC1)NCc2cc3cc(ccc3s2)Br 207a_100000741114_100010238522 [0,2,0,0,0,0|2,0,0]=4 400 B21R3.116761650 CC1(CCCCC1)NCc2cc3cc(ccc3s2)Br 270004a_100000741114_100010238522 [0,2,0,0,0,0|2,0,0]=4 401 B21R3.116761650 CC1(CCCCC1)NCc2cc3cc(ccc3s2)Cl 207a_100000741114_200000119088 [0,2,0,0,0,0|2,0,0]=4 402 B21R3.116761650 CC1(CCCCC1)NCc2cc3cc(ccc3s2)Cl 270004a_100000741114_200000119088 [0,2,0,0,0,0|2,0,0]=4 403 B21R3.116761650 CC1(CCCCC1)NCc2cc3ccc(cc3s2)Br 207a_100000741114_100009814784 [0,2,0,0,0,0|2,0,0]=4 404 B21R3.116761650 CC1(CCCCC1)NCc2cc3ccc(cc3s2)Br 270004a_100000741114_100009814784 [0,2,0,0,0,0|2,0,0]=4 405 B21R3.116761650 Cc1ccc2sc(cc2c1)CNC3(CCCCC3)C 207a_100000741114_100000050833 [0,2,0,0,0,0|2,0,0]=4 406 B21R3.116761650 Cc1ccc2sc(cc2c1)CNC3(CCCCC3)C 270004a_100000741114_100000050833 [0,2,0,0,0,0|2,0,0]=4 407 B21R3.218709 CC1CCCCC1NCc2cc3c(cccc3s2)Br 207a_100000211402_100010109917 [0,2,0,0,0,0|2,0,0]=4 408 B21R3.218709 CC1CCCCC1NCc2cc3c(cccc3s2)Br 270004a_100000211402_100010109917 [0,2,0,0,0,0|2,0,0]=4 409 B21R3.218709 CC1CCCCC1NCc2cc3c(cccc3s2)Cl 207a_100000211402_100000117544 [0,2,0,0,0,0|2,0,0]=4 410 B21R3.218709 CC1CCCCC1NCc2cc3c(cccc3s2)Cl 270004a_100000211402_100000117544 [0,2,0,0,0,0|2,0,0]=4 411 B21R3.218709 CC1CCCCC1NCc2cc3cccc(c3s2)Br 207a_100000211402_100010110135 [0,2,0,0,0,0|2,0,0]=4 412 B21R3.218709 CC1CCCCC1NCc2cc3cccc(c3s2)Br 270004a_100000211402_100010110135 [0,2,0,0,0,0|2,0,0]=4 413 B21R3.218709 F[C@@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Br 207a_100015195156_100010109917 [0,2,0,0,0,0|2,0,0]=4 414 B21R3.218709 F[C@@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Br 270004a_100015195156_100010109917 [0,2,0,0,0,0|2,0,0]=4 415 B21R3.218709 F[C@@H]1CCCC[C@H]1NCc2cc3cccc(c3s2)Br 207a_100015195156_100010110135 [0,2,0,0,0,0|2,0,0]=4 416 B21R3.218709 F[C@@H]1CCCC[C@H]1NCc2cc3cccc(c3s2)Br 270004a_100015195156_100010110135 [0,2,0,0,0,0|2,0,0]=4 417 B21R3.223271 FC1(CCCCC1SCc2nc3ccccc3s2)F 62a_100011217541_200009832135 [0,2,0,0,0,0|2,0,0]=4 418 B21R3.223271 FC1(CCCCC1SCc2nc3ccccc3s2)F 62a_200009832135_100000766747 [0,2,0,0,0,0|2,0,0]=4 419 B21R3.3957577 CC(NC1CCCCC1C)c2cc3ccccc3s2 269862a_100000211402_100011216072 [0,2,0,0,0,0|2,0,0]=4 420 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2cc3c(cccc3s2)Br 207a_100020625639_100010109917 [0,2,0,0,0,0|2,0,0]=4 421 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2cc3c(cccc3s2)Br 270004a_100020625639_100010109917 [0,2,0,0,0,0|2,0,0]=4 422 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2cc3c(cccc3s2)Cl 207a_100020625639_100000117544 [0,2,0,0,0,0|2,0,0]=4 423 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2cc3c(cccc3s2)Cl 270004a_100020625639_100000117544 [0,2,0,0,0,0|2,0,0]=4 424 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2cc3cccc(c3s2)Br 207a_100020625639_100010110135 [0,2,0,0,0,0|2,0,0]=4 425 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2cc3cccc(c3s2)Br 270004a_100020625639_100010110135 [0,2,0,0,0,0|2,0,0]=4 426 B21R3.38112063 CC1(CCCCC1)NCc2cc3c(cccc3s2)Br 207a_100000741114_100010109917 [0,2,0,0,0,0|2,0,0]=4 427 B21R3.38112063 CC1(CCCCC1)NCc2cc3c(cccc3s2)Br 270004a_100000741114_100010109917 [0,2,0,0,0,0|2,0,0]=4 428 B21R3.38112063 CC1(CCCCC1)NCc2cc3c(cccc3s2)Cl 207a_100000741114_100000117544 [0,2,0,0,0,0|2,0,0]=4 429 B21R3.38112063 CC1(CCCCC1)NCc2cc3c(cccc3s2)Cl 270004a_100000741114_100000117544 [0,2,0,0,0,0|2,0,0]=4 430 B21R3.38112063 CC1(CCCCC1)NCc2cc3cccc(c3s2)Br 207a_100000741114_100010110135 [0,2,0,0,0,0|2,0,0]=4 431 B21R3.38112063 CC1(CCCCC1)NCc2cc3cccc(c3s2)Br 270004a_100000741114_100010110135 [0,2,0,0,0,0|2,0,0]=4 432 B21R3.659958 CC(N[C@H]1CC[C@@H](CC1)C)c2cc3ccccc3s2 269862a_100020625639_100011216072 [0,2,0,0,0,0|2,0,0]=4 433 B21R3.9705 COC1CCC(CC1)CSc2cc3ccccc3s2 62a_100013032858_100009816949 [0,2,0,0,0,0|2,0,0]=4 434 B21R3.198480 FC1(CCC(CC1)CSc2cc3ccccc3s2)F 62a_100012361406_100009816949 [0,2,0,0,0,0|2,0,0]=4 435 B21R3.198480 FC1(CCC(CC1)CSc2nc3ccccc3s2)F 62a_100012361406_100000751744 [0,2,0,0,0,0|1,0,0]=3 436 B21R3.198480 FC1(CCC(CC1)SCc2nc3ccccc3s2)F 62a_100009865109_100000766747 [0,2,0,0,0,0|2,0,0]=4 437 B21R3.198480 FC1(CCC(CC1)SCc2nc3ccccc3s2)F 62a_100011217541_100009865109 [0,2,0,0,0,0|2,0,0]=4 438 B21R3.16819414 N#CC1(CCCCC1)CSc2cc3ccccc3s2 62a_100011219015_100009816949 [0,2,0,0,0,0|2,0,0]=4 439 B19R3.19192 c1ccc2sc(cc2c1)SCCC3CCCC3 62a_100000760354_100009816949 [0,0,1,1,0,0|2,0,0]=4 440 B19R3.1671973 c1ccc2sc(cc2c1)SC3CCCCCC3 62a_100011217769_100009816949 [0,0,1,1,0,0|2,0,0]=4 441 B19R3.1671973 c1ccc2sc(nc2c1)SC3CCCCCC3 62a_100011217769_100000751744 [0,0,1,1,0,0|1,0,0]=3 442 B21R4.308762 Brc1c(sc2c1cccc2)SC3C4CCC3CC4 62a_100009813300_100015504031 [0,1,0,1,0,0|2,0,0]=4 443 B21R4.308762 Brc1c(sc2c1cccc2)SC3C4CCC3CC4 62a_100015504031_100009813300 [0,1,0,1,0,0|2,0,0]=4 444 B21R4.308762 Cc1c(sc2c1cccc2)SC3C4CCC3CC4 62a_100009813300_200010198769 [0,1,0,1,0,0|2,0,0]=4 445 B21R4.22831084 Brc1ccc2sc(cc2c1)SC3C4CCC3CC4 62a_100009813300_200010198765 [0,1,0,1,0,0|2,0,0]=4 446 B21R4.22831084 Brc1ccc2sc(cc2c1)SC3C4CCC3CC4 62a_200010198765_100009813300 [0,1,0,1,0,0|2,0,0]=4 447 B17R2.2069 CCCCC(C)Sc1cc2ccccc2o1 62a_200011215066_100010159458 [0,0,1,0,1,0|1,1,0]=4 448 B17R2.2069 CCCCC(C)Sc1cc2ccccc2s1 62a_200011215066_100009816949 [0,0,1,0,1,0|1,0,0]=3 449 B17R2.3569 CCCC(CC)Sc1cc2ccccc2o1 62a_100011219200_100010159458 [0,0,1,0,1,0|1,1,0]=4 450 B17R2.3569 CCCC(CC)Sc1cc2ccccc2s1 62a_100011219200_100009816949 [0,0,1,0,1,0|1,0,0]=3 451 B17R3.8765 c1cc2sc(cc2s1)SC3CCCCC3 62a_100000210327_200010191111 [0,0,0,0,2,0|2,0,0]=4 452 B19R2.1289 CCCCCCCSc1cc2ccccc2cn1 62a_100000210614_100000047361 [0,0,1,0,0,1|2,0,0]=4 453 B19R2.1289 CCCCCCCSc1cc2ccccc2cn1 62a_100009816522_100000210316 [0,0,1,0,0,1|2,0,0]=4 454 B19R2.1289 CCCCCCCSc1ccc2ccccc2n1 62a_100000210614_100011291633 [0,0,1,0,0,1|2,0,0]=4 455 B19R2.1289 CCCCCCCSc1ccc2ccccc2n1 62a_100011291633_100000210316 [0,0,1,0,0,1|2,0,0]=4 456 B19R2.1289 CCCCCCCSc1cnc2ccccc2c1 62a_100000210614_100000737414 [0,0,1,0,0,1|2,0,0]=4 457 B21R3.47750 c1ccc2cc(ncc2c1)CSCC3CCCCC3 62a_100000211423_100009869231 [0,0,0,0,0,2|2,0,0]=4 458 B21R3.47750 c1ccc2cc(ncc2c1)CSCC3CCCCC3 62a_100009869231_100000211423 [0,0,0,0,0,2|2,0,0]=4 459 B21R3.47750 c1ccc2cc(ncc2c1)SCCC3CCCCC3 62a_100009816522_100012355289 [0,0,0,0,0,2|2,0,0]=4 460 B21R3.47750 c1ccc2cc(ncc2c1)SCCC3CCCCC3 62a_100012355289_100000047361 [0,0,0,0,0,2|2,0,0]=4 461 B21R3.47750 c1ccc2nc(ccc2c1)CSCC3CCCCC3 62a_100000211423_100000737579 [0,0,0,0,0,2|2,0,0]=4 462 B21R3.47750 c1ccc2nc(ccc2c1)CSCC3CCCCC3 62a_100000737579_100000211423 [0,0,0,0,0,2|2,0,0]=4 463 B21R3.47750 c1ccc2nc(ccc2c1)SCCC3CCCCC3 62a_100011291633_100012355289 [0,0,0,0,0,2|2,0,0]=4 464 B21R3.47750 c1ccc2nc(ccc2c1)SCCC3CCCCC3 62a_100012355289_100011291633 [0,0,0,0,0,2|2,0,0]=4 465 B21R3.47750 c1ccc2ncc(cc2c1)SCCC3CCCCC3 62a_100012355289_100000737414 [0,0,0,0,0,2|2,0,0]=4 466 B21R3.2154364 c1ccc2cc(ncc2c1)SCC3CCCCCC3 62a_100009816522_200000696569 [0,0,0,0,0,2|2,0,0]=4 467 B21R3.2154364 c1ccc2cc(ncc2c1)SCC3CCCCCC3 62a_200000696569_100000047361 [0,0,0,0,0,2|2,0,0]=4 468 B21R3.2154364 c1ccc2nc(ccc2c1)SCC3CCCCCC3 62a_100011291633_200000696569 [0,0,0,0,0,2|2,0,0]=4 469 B21R3.2154364 c1ccc2nc(ccc2c1)SCC3CCCCCC3 62a_200000696569_100011291633 [0,0,0,0,0,2|2,0,0]=4 470 B21R3.2154364 c1ccc2ncc(cc2c1)SCC3CCCCCC3 62a_200000696569_100000737414 [0,0,0,0,0,2|2,0,0]=4 471 B21R3.2154278 c1ccc2oc(nc2c1)CSCC3CCCCCC3 62a_200000696569_100000195508 [0,0,0,0,0,2|1,1,0]=4 472 B21R3.2154278 c1ccc2sc(nc2c1)CSCC3CCCCCC3 62a_100011217541_200000696569 [0,0,0,0,0,2|1,0,0]=3 473 B21R3.2154278 c1ccc2sc(nc2c1)CSCC3CCCCCC3 62a_200000696569_100000766747 [0,0,0,0,0,2|1,0,0]=3 474 B21R3.2154278 c1ccc2sc(nc2c1)NCCC3CCCCCC3 27a_100011532351_100000751744 [0,0,0,0,0,2|2,0,0]=4 475 B21R3.2429969 c1ccc2[nH]c(nc2c1)SCCCC3CCCCC3 62a_100011713725_100009814255 [0,0,0,0,0,2|2,0,0]=4 476 B21R3.2429969 c1ccc2oc(nc2c1)CSCCC3CCCCC3 62a_100012355289_100000195508 [0,0,0,0,0,2|1,1,0]=4 477 B21R3.2429969 c1ccc2sc(cc2c1)SCCOC3CCCCC3 62a_100011211530_100009816949 [0,0,0,0,0,2|2,0,0]=4 478 B21R3.2429969 c1ccc2sc(nc2c1)CSCCC3CCCCC3 62a_100011217541_100012355289 [0,0,0,0,0,2|1,0,0]=3 479 B21R3.2429969 c1ccc2sc(nc2c1)CSCCC3CCCCC3 62a_100012355289_100000766747 [0,0,0,0,0,2|1,0,0]=3 480 B21R3.2429969 c1ccc2sc(nc2c1)NCCCC3CCCCC3 27a_100011211642_100000751744 [0,0,0,0,0,2|2,0,0]=4 481 B21R3.2429969 c1ccc2sc(nc2c1)SCCCC3CCCCC3 62a_100011713725_100000751744 [0,0,0,0,0,2|1,0,0]=3 482 B21R3.2429969 c1cnc2sc(nc2c1)SCCCC3CCCCC3 62a_100010188088_100011713725 [0,0,0,0,0,2|2,0,0]=4 483 B21R3.2429969 c1cnc2sc(nc2c1)SCCCC3CCCCC3 62a_100011713725_100010188088 [0,0,0,0,0,2|2,0,0]=4 484 B21R3.2154918 C\1=C\CCC(CCC1)SCc2nc3ccccc3s2 62a_100011217541_100021000466 [0,0,0,0,0,2|2,0,0]=4 485 B21R3.2154918 C\1=C\CCC(CCC1)SCc2nc3ccccc3s2 62a_100021000466_100000766747 [0,0,0,0,0,2|2,0,0]=4 486 B21R3.2154918 c1ccc2sc(cc2c1)CNC3CCCCCCC3 207a_100000211152_100000686906 [0,0,0,0,0,2|2,0,0]=4 487 B21R3.2154918 c1ccc2sc(cc2c1)CNC3CCCCCCC3 270004a_100000211152_100000686906 [0,0,0,0,0,2|2,0,0]=4 488 B21R3.2154918 c1ccc2sc(cc2c1)CNC3CCCCCCC3 270004a_100015187092_100000210524 [0,0,0,0,0,2|2,0,0]=4