0 B25R3.3859504 CCN(CC)CCSc1ccc(cc1)c2nc3ccccc3s2 62a_100009811909_100000700428 [1,0,0,0,0,0|0,1,0]=2 1 B25R2.15711 CCN(CC)CCSc1ccc(cc1)C(=O)Cc2ccc(cc2)Cl 62a_100000323850_100000700428 [0,0,1,0,0,0|2,1,0]=4 2 B25R2.677155 CCN(CC)CCOc1ccc(cc1)NCc2ccc(cc2Br)Cl 2230a_100000735715_100000755608 [0,0,1,0,0,0|3,0,0]=4 3 B25R2.677155 CCN(CC)CCOc1ccc(cc1)NCc2ccc(cc2Br)Cl 270302a_100000735715_100000687667 [0,0,1,0,0,0|3,0,0]=4 4 B25R2.677155 CCN(CC)CCOc1ccc(cc1)NCc2ccc(cc2Br)Cl 7a_100000735715_100000755608 [0,0,1,0,0,0|3,0,0]=4 5 B25R2.677155 CCN(CC)CCOc1ccc(cc1)NCc2ccc(cc2Cl)Cl 2230a_100000735715_100000188473 [0,0,1,0,0,0|3,0,0]=4 6 B25R2.677155 CCN(CC)CCOc1ccc(cc1)NCc2ccc(cc2Cl)Cl 270302a_100000735715_100000188887 [0,0,1,0,0,0|3,0,0]=4 7 B25R2.677155 CCN(CC)CCOc1ccc(cc1)NCc2ccc(cc2Cl)Cl 7a_100000735715_100000188473 [0,0,1,0,0,0|3,0,0]=4 8 B25R2.677155 CCN(CC)CCOc1ccc(cc1)NCc2ccc(cc2I)Cl 2230a_100000735715_100010254388 [0,0,1,0,0,0|3,0,0]=4 9 B25R2.677155 CCN(CC)CCOc1ccc(cc1)NCc2ccc(cc2I)Cl 7a_100000735715_100010254388 [0,0,1,0,0,0|3,0,0]=4 10 B25R2.677157 CCN(CC)CCOc1ccc(cc1)NCc2cc(ccc2Br)Cl 2230a_100000735715_100000733903 [0,0,1,0,0,0|3,0,0]=4 11 B25R2.677157 CCN(CC)CCOc1ccc(cc1)NCc2cc(ccc2Br)Cl 270302a_100000735715_100000746314 [0,0,1,0,0,0|3,0,0]=4 12 B25R2.677157 CCN(CC)CCOc1ccc(cc1)NCc2cc(ccc2Br)Cl 7a_100000735715_100000733903 [0,0,1,0,0,0|3,0,0]=4 13 B25R2.677157 CCN(CC)CCOc1ccc(cc1)NCc2cc(ccc2Cl)Cl 2230a_100000735715_100000756322 [0,0,1,0,0,0|3,0,0]=4 14 B25R2.677157 CCN(CC)CCOc1ccc(cc1)NCc2cc(ccc2Cl)Cl 270302a_100000735715_100000746308 [0,0,1,0,0,0|3,0,0]=4 15 B25R2.677157 CCN(CC)CCOc1ccc(cc1)NCc2cc(ccc2Cl)Cl 7a_100000735715_100000756322 [0,0,1,0,0,0|3,0,0]=4 16 B25R2.677157 CCN(CC)CCOc1ccc(cc1)NCc2cc(ccc2I)Cl 2230a_100000735715_100012348826 [0,0,1,0,0,0|3,0,0]=4 17 B25R2.677157 CCN(CC)CCOc1ccc(cc1)NCc2cc(ccc2I)Cl 7a_100000735715_100012348826 [0,0,1,0,0,0|3,0,0]=4 18 B27R4.13110 CCN1CCN(CC1)c2ccc(cc2)c3cc4cc(ccc4s3)Br 271570a_100020617189_200010198765 [0,0,0,1,0,0|2,1,0]=4 19 B27R4.18953071 Brc1ccc2[nH]c(cc2c1)c3ccc(cc3)OCCN4CCCC4 271570a_100102665128_100011012855 [0,0,0,1,0,0|2,1,0]=4 20 B27R4.18953071 Brc1ccc2cc([nH]c2c1)c3ccc(cc3)OCCN4CCCC4 271570a_200010246288_200000174554 [0,0,0,1,0,0|1,1,1]=4 21 B27R4.18953071 Brc1ccc2cc(sc2c1)c3ccc(cc3)OCCN4CCCC4 271570a_100015653926_200000174554 [0,0,0,1,0,0|2,1,0]=4 22 B27R4.18953071 Brc1ccc2oc(cc2c1)c3ccc(cc3)OCCN4CCCC4 271570a_100010176198_200000174554 [0,0,0,1,0,0|1,2,0]=4 23 B27R4.18953071 Brc1ccc2sc(cc2c1)c3ccc(cc3)OCCN4CCCC4 271570a_100102665128_200010198765 [0,0,0,1,0,0|1,1,0]=3 24 B27R4.18953071 Cc1ccc2sc(cc2c1)c3ccc(cc3)OCCN4CCCC4 271570a_100000057607_200000174554 [0,0,0,1,0,0|2,0,0]=3 25 B27R4.18953071 Clc1ccc2oc(cc2c1)c3ccc(cc3)OCCN4CCCC4 271570a_100012186365_200000174554 [0,0,0,1,0,0|1,1,0]=3 26 B27R3.4816444 CCN(CC)CCOc1ccc(cc1)Nc2nc3ccc(cc3s2)C 27a_100000735715_100010186437 [0,0,0,0,0,1|3,0,0]=4 27 B24R3.67722 CCCCCOc1ccc(cc1)c2nc3cc(ccc3s2)F 271570a_100011216715_200010206605 [2,0,0,0,0,0|1,1,0]=4 28 B24R3.67722 CCCCCOc1ccc(cc1)c2nc3cc(ccc3s2)N 271570a_100011216715_100010329861 [2,0,0,0,0,0|2,0,0]=4 29 B24R3.15196703 CC(C)CCOc1ccc(cc1)c2nc3cc(ccc3s2)F 271570a_100000746039_200010206605 [2,0,0,0,0,0|1,1,0]=4 30 B24R3.15196703 CN(C)CCOc1ccc(cc1)c2cc3cc(ccc3s2)Br 271570a_100000765367_200010198765 [2,0,0,0,0,0|1,1,0]=4 31 B26R4.1725283 CCN1CCC(C1)Sc2ccc(cc2)c3cc4ccccc4s3 62a_100010370841_200011861547 [1,0,0,1,0,0|1,1,0]=4 32 B26R4.1725283 CCN1CCC(C1)Sc2ccc(cc2)c3nc4ccccc4s3 62a_100009811909_200011861547 [1,0,0,1,0,0|0,1,0]=3 33 B26R4.14014469 c1ccc2[nH]c(nc2c1)c3ccc(cc3)OCCC4CCCC4 34a_100000258266_100000760354 [1,0,0,1,0,0|2,0,0]=4 34 B26R4.14014469 c1ccc2sc(cc2c1)c3ccc(cc3)OCCN4CCCC4 271570a_100000034353_200000174554 [1,0,0,1,0,0|1,0,0]=3 35 B26R4.14014469 c1ccc2sc(cc2c1)c3ccc(cc3)OCCN4CCCC4 271570a_100102665128_100009816949 [1,0,0,1,0,0|1,0,0]=3 36 B26R4.14014469 c1ccc2sc(cc2c1)c3ccc(cc3)SCCN4CCCC4 62a_100010370841_100000004467 [1,0,0,1,0,0|1,1,0]=4 37 B26R4.14014469 c1ccc2sc(nc2c1)c3ccc(cc3)SCCN4CCCC4 62a_100009811909_100000004467 [1,0,0,1,0,0|0,1,0]=3 38 B28R4.19367770 Fc1ccc2sc(nc2c1)Sc3ccc(cc3)OCCN4CCCC4 62a_200010206605_200000174554 [0,0,0,1,0,1|0,1,0]=3 39 B28R4.2786569 Clc1ccc2ncc(cc2c1)c3ccc(cc3)OCCN4CCCC4 271570a_100102665128_100015929906 [0,0,0,1,0,1|2,0,0]=4 40 B28R4.25919877 Clc1ccc2cc(cnc2c1)c3ccc(cc3)OCCN4CCCC4 271570a_100102665128_100015716233 [0,0,0,1,0,1|1,0,0]=3 41 B28R4.26009894 Cc1ccc2sc(cc2c1)c3ccc(cc3)OCCN4CCCCC4 271570a_100000057607_200000209096 [0,1,0,1,0,0|2,0,0]=4 42 B28R4.26009894 Clc1ccc2[nH]c(cc2c1)c3ccc(cc3)OCCN4CCCCC4 271570a_100010246260_200000209096 [0,1,0,1,0,0|2,0,0]=4 43 B28R4.26009894 Clc1ccc2oc(cc2c1)c3ccc(cc3)OCCN4CCCCC4 271570a_100012186365_200000209096 [0,1,0,1,0,0|1,1,0]=4 44 B24R2.558073 CCN(CC)CCOc1ccc(cc1)Oc2ccc(cc2Cl)Cl 7a_200010192161_100000700428 [0,0,1,0,1,0|1,1,0]=4 45 B24R3.30974917 CCC(CC)COc1ccc(cc1)c2nc3ccccc3[nH]2 34a_100000258266_100011215472 [1,0,0,0,1,0|2,0,0]=4 46 B24R3.2396152 CCN(CC)Cc1ccc(cc1)c2cc3cc(ccc3[nH]2)Cl 271570a_100010246260_200011356839 [0,0,0,0,2,0|2,0,0]=4 47 B24R3.2396152 CCN(CC)Cc1ccc(cc1)c2cc3cc(ccc3o2)Cl 271570a_100012186365_200011356839 [0,0,0,0,2,0|1,1,0]=4 48 B24R3.2396152 CCN(CC)Cc1ccc(cc1)c2cc3cc(ccc3s2)C 271570a_100000057607_200011356839 [0,0,0,0,2,0|2,0,0]=4 49 B26R3.90119 CCN(CC)CCSc1ccc(cc1)c2ccc3ccccc3n2 62a_100015245494_100000700428 [1,0,0,0,0,1|1,1,0]=4 50 B26R3.17196275 CCN(CC)CCCOc1ccc(nc1)c2cc3ccccc3s2 7a_200010140452_100000709985 [1,0,0,0,0,1|2,0,0]=4 51 B26R3.17196275 CCN(CC)CCCSc1ccc(cc1)c2nc3ccccc3[nH]2 62a_100000258273_100000709985 [1,0,0,0,0,1|1,1,0]=4 52 B26R3.17196275 CCN(CC)CCCSc1ccc(cc1)c2nc3ccccc3s2 62a_100009811909_100000709985 [1,0,0,0,0,1|0,1,0]=3 53 B28R3.5719870 CCN(CC)CCOc1ccc(cc1)NCc2cc3cc(ccc3o2)Cl 270302a_100000735715_100012003054 [0,0,0,0,0,2|1,1,0]=4 54 B28R3.5719870 CCN(CC)CCOc1ccc(cc1)NCc2cc3cc(ccc3s2)C 270302a_100000735715_100000050833 [0,0,0,0,0,2|2,0,0]=4 55 B28R3.5719870 CCN(CC)CCOc1ccc(cc1)NCc2cc3cc(ccc3s2)Cl 270302a_100000735715_200000119088 [0,0,0,0,0,2|1,0,0]=3