Sha256: 302889710f3bbdb24a9fb297a6b9509e86e1ebb760c2b125bdd16c57b14b6691
Contents?: true
Size: 733 Bytes
Versions: 6
Compression:
Stored size: 733 Bytes
Contents
STRUCTURE_SMILES,-log10(LC50_mmol) C1=CC(C=O)=CC(OC)=C1OCCCCCC,1.9469215565165803 C1(OC)=C([N+]([O-])=O)C(C=O)=CC(Br)=C1O,0.575118363368933 C1=CC(Cl)=CC=C1OC2=C([N+](=O)[O-])C=CC=C2,2.114073660198569 CC1=C(NC=O)C=CC=C1Cl,0.5606673061697374 CCCCOC(=O)C1=CC=CC(C(=O)OCCCC)=C1,2.490797477668897 C(C1=CC=CC=C1)(C2=CC=CC=C2)(O)C#C,1.2732727909734278 CCCSCCSCCC,1.3746875490383261 CCCSCCCCSCCC,1.8386319977650252 ClCCOC(=O)NC1CCCCC1,0.7695510786217261 O=C1C(C2=CC=CC=C2)(C(=O)NC(=O)N1)CC,-0.31806333496276157 OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],1.2276782932770802 NC(=O)OCC,-1.7693773260761385 [O-]C(C1=CC=CC=C1O)=O.[Na+],-1.0969100130080565 C1=CC=CC=C1C(=O)N,-0.7371926427047373 CC[N+](CC)(CC)CC1(=CC=CC=C1).[Cl-],0.1505805862031006
Version data entries
6 entries across 6 versions & 1 rubygems