Strings for Bots - OpenSourceTB/OSTB_Series_1 GitHub Wiki

'''OSTBS1''' [H]N(CC1)CCC21C3=C(SC=C3)CCO2 InChI=1S/C11H15NOS/c1-7-13-11(3-5-12-6-4-11)9-2-8-14-10(1)9/h2,8,12H,1,3-7H2 KARGZLCFESUWBW-UHFFFAOYSA-N

'''OSTBS2''' (CHEMBL2064198) C12=C(SC=C2)CCOC13CCN(CC4=CC=CC=C4)CC3 InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2 WRPOPKKINJVHKF-UHFFFAOYSA-N

'''OSTBS3''' O=C(OCCCl)N(CC1)CCC21C3=C(SC=C3)CCO2 InChI=1S/C14H18ClNO3S/c15-5-9-18-13(17)16-6-3-14(4-7-16)11-2-10-20-12(11)1-8-19-14/h2,10H,1,3-9H2 RXXGDCXYAFFODV-UHFFFAOYSA-N

'''OSTBS4''' (OSM-S-210 CHEMBL2098175 TCMDC-142379) C12=C(SC=C2)CCOC13CCN(CC4=CC(OCCO5)=C5C=C4)CC3 InChI=1S/C20H23NO3S/c1-2-17-18(23-11-10-22-17)13-15(1)14-21-7-5-20(6-8-21)16-4-12-25-19(16)3-9-24-20/h1-2,4,12-13H,3,5-11,14H2 NCRPMBWORFWNGT-UHFFFAOYSA-N

'''OSTBS5''' C12=C(SC=C2)CCOC13CCN(CC4=CC(OCO5)=C5C=C4)CC3 InChI=1S/C19H21NO3S/c1-2-16-17(22-13-21-16)11-14(1)12-20-7-5-19(6-8-20)15-4-10-24-18(15)3-9-23-19/h1-2,4,10-11H,3,5-9,12-13H2 ACOYQJHGMQYDJB-UHFFFAOYSA-N

'''OSTBS6''' OC(C=C1)=C(OC)C=C1CN(CC2)CCC32C4=C(SC=C4)CCO3 InChI=1S/C19H23NO3S/c1-22-17-12-14(2-3-16(17)21)13-20-8-6-19(7-9-20)15-5-11-24-18(15)4-10-23-19/h2-3,5,11-12,21H,4,6-10,13H2,1H3 KBNYOKOGHUQGHP-UHFFFAOYSA-N

'''OSTBS7''' ClC(C=C1)=CC=C1CN(CC2)CCC32C4=C(SC=C4)CCO3 InChI=1S/C18H20ClNOS/c19-15-3-1-14(2-4-15)13-20-9-7-18(8-10-20)16-6-12-22-17(16)5-11-21-18/h1-4,6,12H,5,7-11,13H2 IKDZLARXTXDYSV-UHFFFAOYSA-N

'''OSTBS8''' (OSM-S-214) (HCl salt of OSTBS9) CC1=CC(CN(CC2)CCC32C4=C(SC=C4)CCO3)=C(C)N1C5=CC=C(F)C=C5.Cl InChI=1S/C24H27FN2OS.ClH/c1-17-15-19(18(2)27(17)21-5-3-20(25)4-6-21)16-26-11-9-24(10-12-26)22-8-14-29-23(22)7-13-28-24;/h3-6,8,14-15H,7,9-13,16H2,1-2H3;1H MHQORCJLAHARKG-UHFFFAOYSA-N

'''OSTBS9''' (free amine on OSTBS8) CC1=CC(CN(CC2)CCC32C4=C(SC=C4)CCO3)=C(C)N1C5=CC=C(F)C=C5 InChI=1S/C24H27FN2OS/c1-17-15-19(18(2)27(17)21-5-3-20(25)4-6-21)16-26-11-9-24(10-12-26)22-8-14-29-23(22)7-13-28-24/h3-6,8,14-15H,7,9-13,16H2,1-2H3 JOUHIYBEDRSIMN-UHFFFAOYSA-N

'''OSTBS10''' C12=C(SC=C2)CCOC13CCN(C4CCCCC4)CC3 InChI=1S/C17H25NOS/c1-2-4-14(5-3-1)18-10-8-17(9-11-18)15-7-13-20-16(15)6-12-19-17/h7,13-14H,1-6,8-12H2 XLYPXGDSQIIAGC-UHFFFAOYSA-N

'''OSTBS11''' (OSM-S-216) O=C(C1=CC=CC=C1)N(CC2)CCC32C4=C(SC=C4)CCO3 InChI=1S/C18H19NO2S/c20-17(14-4-2-1-3-5-14)19-10-8-18(9-11-19)15-7-13-22-16(15)6-12-21-18/h1-5,7,13H,6,8-12H2 DJCDYAUIXOORLS-UHFFFAOYSA-N

'''OSTBS12''' O=C(C1=CC=C(Br)C=C1)N(CC2)CCC32C4=C(SC=C4)CCO3 InChI=1S/C18H18BrNO2S/c19-14-3-1-13(2-4-14)17(21)20-9-7-18(8-10-20)15-6-12-23-16(15)5-11-22-18/h1-4,6,12H,5,7-11H2 NZVHUZGXLTUEBD-UHFFFAOYSA-N

'''OSTBS13''' O=C(C1=C(Br)C=CC=C1)N(CC2)CCC32C4=C(SC=C4)CCO3 InChI=1S/C18H18BrNO2S/c19-15-4-2-1-3-13(15)17(21)20-9-7-18(8-10-20)14-6-12-23-16(14)5-11-22-18/h1-4,6,12H,5,7-11H2 LHLPZMBZHPYLMM-UHFFFAOYSA-N

'''OSTBS14''' (OSM-S-198) C12=C(C=CS2)CCOC13CCN(CC4=CC=CC=C4)CC3 InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)17-16(6-12-20-18)7-13-21-17/h1-5,7,13H,6,8-12,14H2 ZZQIGFUYNABBCP-UHFFFAOYSA-N

'''OSTBS15''' (OSM-S-194) C12=C(C(C=CC=C3)=C3N2)CCOC14CCN(CC5=CC=CC=C5)CC4 InChI=1S/C22H24N2O/c1-2-6-17(7-3-1)16-24-13-11-22(12-14-24)21-19(10-15-25-22)18-8-4-5-9-20(18)23-21/h1-9,23H,10-16H2 ZZRXZXUKZZBHSK-UHFFFAOYSA-N

'''OSTBS16''' (OSM-S-199) C12=C(C(C=CC=C3)=C3N2)CCOC14CCN(CC5=CC(OCCO6)=C6C=C5)CC4 InChI=1S/C24H26N2O3/c1-2-4-20-18(3-1)19-7-12-29-24(23(19)25-20)8-10-26(11-9-24)16-17-5-6-21-22(15-17)28-14-13-27-21/h1-6,15,25H,7-14,16H2 VOUYSWHZMJVQFH-UHFFFAOYSA-N

'''OSTBS17''' (OSM-S-197) C12=C(C(C=CC=C3)=C3N2)CCOC14CCNCC4 InChI=1S/C15H18N2O/c1-2-4-13-11(3-1)12-5-10-18-15(14(12)17-13)6-8-16-9-7-15/h1-4,16-17H,5-10H2 ADIFMQFOYVKYJG-UHFFFAOYSA-N

'''OSTBS18''' (OSM-S-200) C12=C(C(C=CC=C3)=C3S2)CCOC14CCN(CC5=CC=CC=C5)CC4 InChI=1S/C22H23NOS/c1-2-6-17(7-3-1)16-23-13-11-22(12-14-23)21-19(10-15-24-22)18-8-4-5-9-20(18)25-21/h1-9H,10-16H2 BXTAXLWLFOLFKL-UHFFFAOYSA-N

'''OSTBS19''' (OSM-S-195) ClC1=CC=CC2=C1CCOC23CCN(CC4=CC=CC=C4)CC3 InChI=1S/C20H22ClNO/c21-19-8-4-7-18-17(19)9-14-23-20(18)10-12-22(13-11-20)15-16-5-2-1-3-6-16/h1-8H,9-15H2 MMFIRWPCCHXYHI-UHFFFAOYSA-N

'''OSTBS20''' (OSM-S-196) COC(C(OC)=C1)=CC2=C1C3(CCN(CC4=CC=CC=C4)CC3)OCC2 InChI=1S/C22H27NO3/c1-24-20-14-18-8-13-26-22(19(18)15-21(20)25-2)9-11-23(12-10-22)16-17-6-4-3-5-7-17/h3-7,14-15H,8-13,16H2,1-2H3 ADXUPDCQQACVPU-UHFFFAOYSA-N

'''OSTBS21''' CC1=C(C=C(C)N1C2=CC=C(OC)C=C2)CN(CC3)CCC43C5=C(SC=C5)CCO4 InChI=1S/C25H30N2O2S/c1-18-16-20(19(2)27(18)21-4-6-22(28-3)7-5-21)17-26-12-10-25(11-13-26)23-9-15-30-24(23)8-14-29-25/h4-7,9,15-16H,8,10-14,17H2,1-3H3 SKYPEZIEIFQUKV-UHFFFAOYSA-N

'''OSTBS22''' CC1=C(C=C(C)N1C2=CC=CC=N2)CN(CC3)CCC43C5=C(SC=C5)CCO4 InChI=1S/C23H27N3OS/c1-17-15-19(18(2)26(17)22-5-3-4-10-24-22)16-25-11-8-23(9-12-25)20-7-14-28-21(20)6-13-27-23/h3-5,7,10,14-15H,6,8-9,11-13,16H2,1-2H3 PRUZKNSDUCOGQL-UHFFFAOYSA-N

'''OSTBS23''' CC1=C(C=C(C)N1C2=CC=CC=C2)CN(CC3)CCC43C5=C(SC=C5)CCO4 InChI=1S/C24H28N2OS/c1-18-16-20(19(2)26(18)21-6-4-3-5-7-21)17-25-12-10-24(11-13-25)22-9-15-28-23(22)8-14-27-24/h3-7,9,15-16H,8,10-14,17H2,1-2H3 MPUPSSIARGDOOI-UHFFFAOYSA-N

'''OSTBS24''' CC1=C(C=C(C)N1C2=CC=CN=C2)CN(CC3)CCC43C5=C(SC=C5)CCO4 InChI=1S/C23H27N3OS/c1-17-14-19(18(2)26(17)20-4-3-9-24-15-20)16-25-10-7-23(8-11-25)21-6-13-28-22(21)5-12-27-23/h3-4,6,9,13-15H,5,7-8,10-12,16H2,1-2H3 QFOULAQETKMYPI-UHFFFAOYSA-N

'''OSTBS25''' CC1=C(C=C(C)N1C2=CC=C(F)C=C2)C(N(CC3)CCC43C5=C(SC=C5)CCO4)=O InChI=1S/C24H25FN2O2S/c1-16-15-20(17(2)27(16)19-5-3-18(25)4-6-19)23(28)26-11-9-24(10-12-26)21-8-14-30-22(21)7-13-29-24/h3-6,8,14-15H,7,9-13H2,1-2H3 AGMHHROBLIOLOY-UHFFFAOYSA-N

'''OSTBS26''' CC1=C(C=C(C)N1C2=CC=C(F)C=C2)CN(CC3)CCC43C5=C(C(C=CC=C6)=C6N5)CCO4 InChI=1S/C28H30FN3O/c1-19-17-21(20(2)32(19)23-9-7-22(29)8-10-23)18-31-14-12-28(13-15-31)27-25(11-16-33-28)24-5-3-4-6-26(24)30-27/h3-10,17,30H,11-16,18H2,1-2H3 FPOLKZMYVPDQIT-UHFFFAOYSA-N