smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1nc(CCc2ccccc2)n[nH]1)c1cc(-c2ccccn2)[nH]n1	ZINC000218472113	509278226	/nfs/dbraw/zinc/27/82/26/509278226.db2.gz	KQPUHXCVJTXENO-UHFFFAOYSA-N	0	2	359.393	2.627	50	70		FFIALN
O=C(Nc1n[nH]c(CCc2ccccc2)n1)c1cc(-c2ccccn2)[nH]n1	ZINC000218472113	509278233	/nfs/dbraw/zinc/27/82/33/509278233.db2.gz	KQPUHXCVJTXENO-UHFFFAOYSA-N	0	2	359.393	2.627	50	70		FFIALN
O=C(Nc1nc(CCC2CCCC2)n[nH]1)c1cc(-c2ccccn2)[nH]n1	ZINC000218537488	527497074	/nfs/dbraw/zinc/49/70/74/527497074.db2.gz	GJEUYYOVFBRVPL-UHFFFAOYSA-N	0	2	351.414	2.965	50	70		FFIALN
C[C@H](NC(=O)c1c[nH]c2ccc(F)cc2c1=O)c1nnc2ccccn21	ZINC000218183955	206369014	/nfs/dbraw/zinc/36/90/14/206369014.db2.gz	PMSHYXKXOQMKEN-JTQLQIEISA-N	0	2	351.341	2.613	50	70		FFIALN
COC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1c(O)cc(C)oc1=O	ZINC000218042948	571352231	/nfs/dbraw/zinc/35/22/31/571352231.db2.gz	IMRHPHAPYZMLPM-JTQLQIEISA-N	0	2	366.753	2.731	50	70	biogenic	FFIALN
O=C(NCc1nnc2ccccn21)c1c[nH]c2cc(Cl)ccc2c1=O	ZINC000218308412	509276952	/nfs/dbraw/zinc/27/69/52/509276952.db2.gz	PFUJUKNSCRPBKS-UHFFFAOYSA-N	0	2	353.769	2.567	50	70		FFIALN
CC[C@@H](O)c1cc2n(n1)CC[N@@H+](CCc1nc3ccc(Cl)cc3[nH]1)C2	ZINC000217471172	509269524	/nfs/dbraw/zinc/26/95/24/509269524.db2.gz	PFTIRODOSWTMRW-QGZVFWFLSA-N	0	2	359.861	2.915	50	70		FFIALN
O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(F)c(Cl)c1	ZINC000218242958	509274917	/nfs/dbraw/zinc/27/49/17/509274917.db2.gz	KKRBYQMPTLWNAE-UHFFFAOYSA-N	0	2	373.837	2.903	50	70		FFIALN
CC[C@H](O)c1cc2n(n1)CC[N@@H+](CCc1nc3ccc(Cl)cc3[nH]1)C2	ZINC000217471240	509270404	/nfs/dbraw/zinc/27/04/04/509270404.db2.gz	PFTIRODOSWTMRW-KRWDZBQOSA-N	0	2	359.861	2.915	50	70		FFIALN
O=C(NCCC1=NC(=O)CC(=O)N1)c1ccccc1Oc1ccccc1	ZINC000218214963	526459842	/nfs/dbraw/zinc/45/98/42/526459842.db2.gz	FHZHZHSWMNAEGA-UHFFFAOYSA-N	0	2	351.362	2.653	50	70		FFIALN
COc1ccccc1-c1n[nH]c(NC(=O)c2cnc3ccccc3c2O)n1	ZINC000218183463	509274661	/nfs/dbraw/zinc/27/46/61/509274661.db2.gz	HZENPMJQESXNSM-UHFFFAOYSA-N	0	2	361.361	2.986	50	70		FFIALN
COC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1c(O)cc(C)oc1=O	ZINC000218042859	571352237	/nfs/dbraw/zinc/35/22/37/571352237.db2.gz	IMRHPHAPYZMLPM-SNVBAGLBSA-N	0	2	366.753	2.731	50	70	biogenic	FFIALN