smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](CC)(CC)CCCCCCC[N@@+](C)(CC)Cc1cc2ccccc2o1	ZINC000239073295	570428050	/nfs/dbraw/zinc/42/80/50/570428050.db2.gz	GWXWXOABDQULOZ-AREMUKBSSA-N	2	0	388.640	6.226	50	5		GJBARP
C[N+]1(C/C=C/c2ccccc2)CC[N+](C)(Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000004109894	204027860	/nfs/dbraw/zinc/02/78/60/204027860.db2.gz	MZOGWIGJAIVTJD-RMKNXTFCSA-N	2	0	390.493	4.826	50	5		GJBARP
CC[N+](CC)(CC)CCCCCCC[N@+](C)(CC)Cc1cc2ccccc2o1	ZINC000239073296	570428041	/nfs/dbraw/zinc/42/80/41/570428041.db2.gz	GWXWXOABDQULOZ-SANMLTNESA-N	2	0	388.640	6.226	50	5		GJBARP
C[C@@H](CSc1c2ccc(N(C)C)cc2[nH+]c2cc(N(C)C)ccc21)C[NH+](C)C	ZINC000071767300	570851534	/nfs/dbraw/zinc/85/15/34/570851534.db2.gz	QKXWCCANUOWYTB-MRXNPFEDSA-N	2	0	396.604	4.810	50	5		GJBARP
C[C@H](CSc1c2ccc(N(C)C)cc2[nH+]c2cc(N(C)C)ccc21)C[NH+](C)C	ZINC000071767299	570851663	/nfs/dbraw/zinc/85/16/63/570851663.db2.gz	QKXWCCANUOWYTB-INIZCTEOSA-N	2	0	396.604	4.810	50	5		GJBARP
CN(C)c1ccc2c(c1)[nH+]c1cc(N(C)C)ccc1c2SCC[NH+]1CCCC1	ZINC000071767290	570851380	/nfs/dbraw/zinc/85/13/80/570851380.db2.gz	RJFYEHSLDCVEFA-UHFFFAOYSA-N	2	0	394.588	4.708	50	5		GJBARP