smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN(CC)c1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217090796 DZGDNHVHWVTFPM-UHFFFAOYSA-N 313.426 3.806 70 1 DHIF Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2c1 586928325 WTRNVKTXVNOIRN-UHFFFAOYSA-N 320.801 3.774 70 1 DHIF O=S(=O)(F)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857535484 YMCFNWMGKFGBSS-OWOJBTEDSA-N 322.201 3.994 70 1 DHIF Cc1cccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 587181136 UCONOCBQJREAER-UHFFFAOYSA-N 324.764 3.850 70 1 DHIF Cc1cc(-c2nc3cc(F)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927936 LQLFAHNVLPJBND-UHFFFAOYSA-N 324.764 3.605 70 1 DHIF CC(C)(C(=O)c1coc2ccc(Cl)cc12)S(=O)(=O)Cl 587279654 ZEPFAIMBQQCXGR-UHFFFAOYSA-N 321.181 3.616 70 1 DHIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 587179792 AEJMVQCAELVWHC-UHFFFAOYSA-N 310.737 3.542 70 1 DHIF Cc1cc(-c2nc3c(C)cccc3[nH]2)ccc1S(=O)(=O)Cl 586926831 APIRQHGOMZQGRB-UHFFFAOYSA-N 320.801 3.774 70 1 DHIF CC(C)Nc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 217115753 JUYQZIJQKTYLJF-UHFFFAOYSA-N 303.362 3.611 70 1 DHIF O=C(c1cccc(S(=O)(=O)Cl)c1)c1coc2ccccc12 587280879 FNPIMPDLUZPCQA-UHFFFAOYSA-N 320.753 3.591 70 1 DHIF O=S(=O)(F)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587212005 AQMLFHJYZAXFFW-UHFFFAOYSA-N 313.353 3.659 70 1 DHIF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)s1 216965444 YDBMUVPOKANEJD-WAYWQWQTSA-N 306.383 3.953 70 1 DHIF CCc1ccc(-c2nc3ccccc3[nH]2)cc1S(=O)(=O)Cl 586928124 ZMOOVCGAKYFHGC-UHFFFAOYSA-N 320.801 3.720 70 1 DHIF Cc1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587180292 HBCGLOZJFDMOEL-UHFFFAOYSA-N 324.764 3.850 70 1 DHIF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](Cl)[C@@H]2O 29347237 ZVXBOMPWDDRKPP-YLALRLGGSA-N 306.833 3.827 70 1 DHIF biogenic Cc1cc(-c2nc3c(F)cccc3[nH]2)ccc1S(=O)(=O)Cl 586926902 BHCWJRCDGVLHRD-UHFFFAOYSA-N 324.764 3.605 70 1 DHIF