smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OC[C@@H]1Cc2cc(F)ccc2CN1	107342026	573534536	/nfs/dbraw/zinc/53/45/36/573534536.db2.gz	HOBXJDYDGFFAPV-JTQLQIEISA-N	0	3	181.210	0.832	30	0		ACACHN
CCOCCN(C)CCOCC	59406937	486760942	/nfs/dbraw/zinc/76/09/42/486760942.db2.gz	NSPBFRRIHOGAHL-UHFFFAOYSA-N	0	3	175.272	0.991	30	0		ACACHN
CCOC(=O)c1c[nH]nc1CN	118639700	1188777909	/nfs/dbraw/zinc/77/79/09/1188777909.db2.gz	ZWIJQVKGWPTVFR-UHFFFAOYSA-N	0	3	169.184	0.045	30	0		ACACHN
NC(=O)[C@@H](N)CCC(F)(F)F	83144755	169159565	/nfs/dbraw/zinc/15/95/65/169159565.db2.gz	JNHJLLWYQJNHIR-VKHMYHEASA-N	0	3	170.134	0.142	30	0		ACACHN
NCCONC(=O)c1ccccc1	39139049	169191657	/nfs/dbraw/zinc/19/16/57/169191657.db2.gz	VZDFVMOROAMNMD-UHFFFAOYSA-N	0	3	180.207	0.307	30	0		ACACHN
CC[C@@H](F)CN	59660186	343346450	/nfs/dbraw/zinc/34/64/50/343346450.db2.gz	OEKBUSOWCWGWMM-SCSAIBSYSA-N	0	3	91.129	0.693	30	0	in-vitro	ACACHN
CC[C@H](F)CN	59660184	343346417	/nfs/dbraw/zinc/34/64/17/343346417.db2.gz	OEKBUSOWCWGWMM-BYPYZUCNSA-N	0	3	91.129	0.693	30	0	in-vitro	ACACHN
c1cn2c(n1)CNCCC2	24532969	351417258	/nfs/dbraw/zinc/41/72/58/351417258.db2.gz	MSGXSUOARVWIGR-UHFFFAOYSA-N	0	3	137.186	0.376	30	0		ACACHN