smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCCNc1c2cc(Cl)ccc2nc2c1CCCC2	ZINC000001640922	201514868	/nfs/dbraw/zinc/51/48/68/201514868.db2.gz	FLVWGDXSNRVCLL-UHFFFAOYSA-N	1	3	345.918	4.911	40	0		EJABHO
c1ccc(CN2CC=C(C3=CC[N@H+](Cc4ccccc4)CC3)CC2)cc1	ZINC000255190011	244048633	/nfs/dbraw/zinc/04/86/33/244048633.db2.gz	UJJHCFCHSDDFDF-UHFFFAOYSA-N	1	3	344.502	4.651	40	0		EJABHO
c1ccc(CN2CC=C(C3=CC[N@@H+](Cc4ccccc4)CC3)CC2)cc1	ZINC000255190011	244048637	/nfs/dbraw/zinc/04/86/37/244048637.db2.gz	UJJHCFCHSDDFDF-UHFFFAOYSA-N	1	3	344.502	4.651	40	0		EJABHO
Cc1ccc(C[NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)s1	ZINC000096051558	563978599	/nfs/dbraw/zinc/97/85/99/563978599.db2.gz	CLVODXIOFMVEAT-IBGZPJMESA-N	1	3	344.524	4.526	40	0		EJABHO
Cc1ccc(CN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)o1	ZINC000096047188	563978159	/nfs/dbraw/zinc/97/81/59/563978159.db2.gz	GGTTXXXXUIDOPS-UHFFFAOYSA-N	1	3	344.524	4.528	40	0		EJABHO
c1csc(CN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)c1	ZINC000096047184	563978191	/nfs/dbraw/zinc/97/81/91/563978191.db2.gz	GKWNYQFOBIJVKO-UHFFFAOYSA-N	1	3	346.565	4.688	40	0		EJABHO
CCN(CC)CCC[NH2+]Cc1cc(-c2ccccc2)nc2ccccc12	ZINC000001729528	563407832	/nfs/dbraw/zinc/40/78/32/563407832.db2.gz	PMJAYRPEIYOTQU-UHFFFAOYSA-N	1	3	347.506	4.723	40	0		EJABHO
CN(C)C[C@H]1CCCCCCCCCCCC[C@@H](C[NH+](C)C)C1=O	ZINC000005837339	563551890	/nfs/dbraw/zinc/55/18/90/563551890.db2.gz	BAXULGVCSVLJSN-BGYRXZFFSA-N	1	3	338.580	4.606	40	0		EJABHO
CN(C)C[C@@H]1CCCCCCCCCCCC[C@H](C[NH+](C)C)C1=O	ZINC000005837339	563551894	/nfs/dbraw/zinc/55/18/94/563551894.db2.gz	BAXULGVCSVLJSN-BGYRXZFFSA-N	1	3	338.580	4.606	40	0		EJABHO
CC[NH+](CC)CCCNc1c2ccc(Cl)cc2nc2c1CCCC2	ZINC000001689836	563404026	/nfs/dbraw/zinc/40/40/26/563404026.db2.gz	OCKVNKHMFZLQSS-UHFFFAOYSA-N	1	3	345.918	4.911	40	0		EJABHO
CC[NH+](CC)CCC[C@H](C)Nc1cc(C)nc2ccc(N(C)C)cc21	ZINC000001755460	563409925	/nfs/dbraw/zinc/40/99/25/563409925.db2.gz	UBFRBEMNLDGLCO-INIZCTEOSA-N	1	3	342.531	4.532	40	0		EJABHO
c1csc(C[NH+]2CCC3(CCN(Cc4ccsc4)CC3)CC2)c1	ZINC000096047185	563978150	/nfs/dbraw/zinc/97/81/50/563978150.db2.gz	DCLCUYJGQAICPD-UHFFFAOYSA-N	1	3	346.565	4.688	40	0		EJABHO
Cc1ccc(C[NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)s1	ZINC000096051559	563978596	/nfs/dbraw/zinc/97/85/96/563978596.db2.gz	CLVODXIOFMVEAT-LJQANCHMSA-N	1	3	344.524	4.526	40	0		EJABHO
Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)s1	ZINC000096058321	563978793	/nfs/dbraw/zinc/97/87/93/563978793.db2.gz	DYJOFEXQQHVOEM-ACRUOGEOSA-N	1	3	340.536	4.667	40	0		EJABHO
Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)s1	ZINC000096058321	563978794	/nfs/dbraw/zinc/97/87/94/563978794.db2.gz	DYJOFEXQQHVOEM-ACRUOGEOSA-N	1	3	340.536	4.667	40	0		EJABHO
CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)nc2ccc(N(C)C)cc21	ZINC000002033767	563418662	/nfs/dbraw/zinc/41/86/62/563418662.db2.gz	UBFRBEMNLDGLCO-MRXNPFEDSA-N	1	3	342.531	4.532	40	0		EJABHO
CN(C)C[C@@H]1CCCCCCCCCCCC[C@@H](C[NH+](C)C)C1=O	ZINC000005837354	563551779	/nfs/dbraw/zinc/55/17/79/563551779.db2.gz	BAXULGVCSVLJSN-PMACEKPBSA-N	1	3	338.580	4.606	40	0		EJABHO
CN(C)C[C@H]1CCCCCCCCCCCC[C@H](C[NH+](C)C)C1=O	ZINC000005837348	563551910	/nfs/dbraw/zinc/55/19/10/563551910.db2.gz	BAXULGVCSVLJSN-WOJBJXKFSA-N	1	3	338.580	4.606	40	0		EJABHO