smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@H](CC)C[NH2+]C[C@@H](CC)CCCC	ZINC000001680854	168998684	/nfs/dbraw/zinc/99/86/84/168998684.db2.gz	SAIKULLUBZKPDA-HOTGVXAUSA-N	1	0	241.463	5.009	50	0		BKAARO
CCCC[C@@H](CC)C[NH2+]C[C@H](CC)CCCC	ZINC000001680855	342708659	/nfs/dbraw/zinc/70/86/59/342708659.db2.gz	SAIKULLUBZKPDA-HZPDHXFCSA-N	1	0	241.463	5.009	50	0		BKAARO
CCCC[C@@H](CC)C[NH2+]C[C@@H](CC)CCCC	ZINC000001680856	342708741	/nfs/dbraw/zinc/70/87/41/342708741.db2.gz	SAIKULLUBZKPDA-IYBDPMFKSA-N	1	0	241.463	5.009	50	0		BKAARO
CCCCCC[C@@H](C)[NH2+][C@@H](C)CCCCCC	ZINC000001693419	357157471	/nfs/dbraw/zinc/15/74/71/357157471.db2.gz	WFHJRRVARWWPDH-IYBDPMFKSA-N	1	0	241.463	5.294	50	0		BKAARO
CCCCCC[C@H](C)[NH2+][C@@H](C)CCCCCC	ZINC000001693420	357157557	/nfs/dbraw/zinc/15/75/57/357157557.db2.gz	WFHJRRVARWWPDH-HOTGVXAUSA-N	1	0	241.463	5.294	50	0		BKAARO
CCCCCC[C@@H](C)[NH2+][C@H](C)CCCCCC	ZINC000001693421	357157275	/nfs/dbraw/zinc/15/72/75/357157275.db2.gz	WFHJRRVARWWPDH-HZPDHXFCSA-N	1	0	241.463	5.294	50	0		BKAARO
CCCC1(CCC)CCC(CCC)(CCC)[NH2+]1	ZINC000001803595	383936318	/nfs/dbraw/zinc/93/63/18/383936318.db2.gz	CYVMCNWCNMEVJB-UHFFFAOYSA-N	1	0	239.447	5.048	50	0		BKAARO
C1CCC([PH+](C2CCCC2)C2CCCC2)C1	ZINC000002562321	188101200	/nfs/dbraw/zinc/10/12/00/188101200.db2.gz	DHWBYAACHDUFAT-UHFFFAOYSA-N	1	0	238.355	5.296	50	0		BKAARO
CC(C)(C)[PH+](C1CCCCC1)C(C)(C)C	ZINC000002581130	342725507	/nfs/dbraw/zinc/72/55/07/342725507.db2.gz	HFFHNJKBAYQARL-UHFFFAOYSA-N	1	0	228.360	5.398	50	0		BKAARO
CCCCC[PH+](CCCCC)N(CC)CC	ZINC000002810055	631783823	/nfs/dbraw/zinc/78/38/23/631783823.db2.gz	NUDOLKGOPDBLLV-UHFFFAOYSA-N	1	0	245.391	5.106	50	0		BKAARO
c1ccc(-c2cccc(-c3ccccc3)[s+]2)cc1	ZINC000005491155	183379780	/nfs/dbraw/zinc/37/97/80/183379780.db2.gz	GQQGGWAMQKYLJJ-UHFFFAOYSA-N	1	0	249.358	5.363	50	0		BKAARO
CC[PH+](C1CCCCC1)C1CCCCC1	ZINC000059787641	385053750	/nfs/dbraw/zinc/05/37/50/385053750.db2.gz	DPOGTJDEMBEUSH-UHFFFAOYSA-N	1	0	226.344	5.154	50	0		BKAARO
CC(C)(C)C[PH+](C(C)(C)C)C(C)(C)C	ZINC000060290815	200658643	/nfs/dbraw/zinc/65/86/43/200658643.db2.gz	JBGICSFDKZAWFJ-UHFFFAOYSA-N	1	0	216.349	5.111	50	0		BKAARO