smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC(CCC)(CCC)CC[NH3+]	ZINC000001730875	166844354	/nfs/dbraw/zinc/84/43/54/166844354.db2.gz	VVBRUNKYROKVLB-UHFFFAOYSA-N	1	0	199.382	4.112	40	0		AIABRO
CCCCC(CC)(CC[NH3+])CCCC	ZINC000001730876	166845111	/nfs/dbraw/zinc/84/51/11/166845111.db2.gz	CZIJUCWBHVOJKW-UHFFFAOYSA-N	1	0	199.382	4.112	40	0		AIABRO
Cc1cc(-c2ccccc2)[s+]s1	ZINC000005203165	168722666	/nfs/dbraw/zinc/72/26/66/168722666.db2.gz	AUWONZJNWKWZBI-UHFFFAOYSA-N	1	0	193.316	4.066	40	0		AIABRO
CCCCC[NH+](CCCC)CCCC	ZINC000016638461	343044113	/nfs/dbraw/zinc/04/41/13/343044113.db2.gz	LEHULSCLOPRJSL-UHFFFAOYSA-N	1	0	199.382	4.079	40	0		AIABRO
C#[N+]c1ccc(Oc2ccccc2)cc1	ZINC000095697984	351671920	/nfs/dbraw/zinc/67/19/20/351671920.db2.gz	SJKLDKFPOFXLDP-UHFFFAOYSA-N	1	0	195.221	4.030	40	0		AIABRO
C#[N+]c1ccccc1Oc1ccccc1	ZINC000100224304	351692728	/nfs/dbraw/zinc/69/27/28/351692728.db2.gz	RLYNIBOCUAMFBN-UHFFFAOYSA-N	1	0	195.221	4.030	40	0		AIABRO
C#[N+]c1cccc(Oc2ccccc2)c1	ZINC000100521597	351699332	/nfs/dbraw/zinc/69/93/32/351699332.db2.gz	RQJRUJUJXQTTDI-UHFFFAOYSA-N	1	0	195.221	4.030	40	0		AIABRO