smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H](c1ccccc1)C1C2CN(C)CC1C[NH+](C)C2	ZINC000026247213	171476034	/nfs/dbraw/zinc/47/60/34/171476034.db2.gz	KVUNNFLLHKJURP-GZUIOVLMSA-N	1	3	274.408	2.114	1	0		CEAFHO
C[C@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2	ZINC000005574330	170115215	/nfs/dbraw/zinc/11/52/15/170115215.db2.gz	RSTSMVMSMDWOHJ-OBJOEFQTSA-N	1	3	276.380	2.234	1	0		CEAFHO
CC/C=C\C/C=C\[C@@H]1CC(=O)NCCC[NH2+]CCCCN1	ZINC000005813135	170142483	/nfs/dbraw/zinc/14/24/83/170142483.db2.gz	LUOMCXKCIGOCHI-LBLOSMJHSA-N	1	3	293.455	2.137	1	0		CEAFHO
CC(C)=CCC/C(C)=C/C(=O)NCCC[NH2+]CCCN	ZINC000095585874	185013081	/nfs/dbraw/zinc/01/30/81/185013081.db2.gz	LZQMFEBJIYNRAQ-FYWRMAATSA-N	1	3	281.444	2.124	1	0		CEAFHO
CC(C)=CCC/C(C)=C/C(=O)NCCCNCCC[NH3+]	ZINC000095585874	185013084	/nfs/dbraw/zinc/01/30/84/185013084.db2.gz	LZQMFEBJIYNRAQ-FYWRMAATSA-N	1	3	281.444	2.124	1	0		CEAFHO
CC1(C)NC(=[NH2+])NC(=N)[C@@H]1c1ccc(Cl)cc1	ZINC000045210926	175328970	/nfs/dbraw/zinc/32/89/70/175328970.db2.gz	ASVVQWHFKGKOHL-VIFPVBQESA-N	1	3	250.733	2.307	1	0		CEAFHO
CCCC[C@@H]1NC(=N)NC(=[NH2+])N1c1ccc(Cl)cc1	ZINC000013809210	534953851	/nfs/dbraw/zinc/95/38/51/534953851.db2.gz	VWHBREVXFNULBX-LLVKDONJSA-N	1	3	279.775	2.306	1	0		CEAFHO
CC1(C)NC(=[NH2+])NC(=N)[C@H]1c1ccc(Cl)cc1	ZINC000045210921	175328709	/nfs/dbraw/zinc/32/87/09/175328709.db2.gz	ASVVQWHFKGKOHL-SECBINFHSA-N	1	3	250.733	2.307	1	0		CEAFHO
CC/C=C\C/C=C\[C@H]1CC(=O)NCCC[NH2+]CCCCN1	ZINC000005813136	170142485	/nfs/dbraw/zinc/14/24/85/170142485.db2.gz	LUOMCXKCIGOCHI-JHGAFDPBSA-N	1	3	293.455	2.137	1	0		CEAFHO
c1cc2c(cc1OCCN1CCCCC1)CC[NH2+]CC2	ZINC000038816085	174156046	/nfs/dbraw/zinc/15/60/46/174156046.db2.gz	KWEZWIYXNRSXFQ-UHFFFAOYSA-N	1	3	274.408	2.240	1	0		CEAFHO
CCCCc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1	ZINC000001575021	560182471	/nfs/dbraw/zinc/18/24/71/560182471.db2.gz	PCJOVXVEEYNISX-UHFFFAOYSA-N	1	3	273.384	2.215	1	0	in-vitro	CEAFHO