smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]Cc1sc2cc(C#Cc3ccc4c(c3)CN(Cc3ccccc3)CC4)ccc2c1Cl	ZINC000072109843	563163334	/nfs/dbraw/zinc/16/33/34/563163334.db2.gz	LPQFOJTZSVPKCA-UHFFFAOYSA-N	1	3	443.015	5.972	1	30		IKEFHO
O=C1C(c2ccccc2)=C(c2ccccc2)C2[C@H]3C[C@@H](C[C@]12[NH+]1CCCC1)c1ccccc13	ZINC000033827597	563084771	/nfs/dbraw/zinc/08/47/71/563084771.db2.gz	LILDKNBDBPVLKV-PUFBIHNTSA-N	1	3	431.579	6.306	1	30		IKEFHO
CCCCCCCCN1CCC[C@H](NC(=O)CCCCCCCCC[NH+]2CCCCC2)C1	ZINC000042784638	563115735	/nfs/dbraw/zinc/11/57/35/563115735.db2.gz	GPAHJJJOOPKSHC-MHZLTWQESA-N	1	3	449.768	6.534	1	30		IKEFHO
C#CCN(C)[C@H](C)Cc1ccc(OCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1	ZINC000095586612	563189245	/nfs/dbraw/zinc/18/92/45/563189245.db2.gz	MJKWWKZMIZQQKV-JOCHJYFZSA-N	1	3	441.619	5.491	1	30		IKEFHO
C#CCN(C)[C@H](C)Cc1ccc(OCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1	ZINC000095592050	563190485	/nfs/dbraw/zinc/19/04/85/563190485.db2.gz	NLIQKDYVOZKRKM-OAQYLSRUSA-N	1	3	427.592	5.101	1	30		IKEFHO
CC(C)NC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(=[NH2+])NC(C)C)cc3)s2)cc1	ZINC000028707665	563062166	/nfs/dbraw/zinc/06/21/66/563062166.db2.gz	SLPFTEKVTOHYFF-UHFFFAOYSA-N	1	3	434.613	5.562	1	30		IKEFHO
CC(C)NC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(=[NH2+])NC(C)C)cc3)cc2)cc1	ZINC000040379440	563099534	/nfs/dbraw/zinc/09/95/34/563099534.db2.gz	FTVYTODPEHWSPL-UHFFFAOYSA-N	1	3	428.584	5.500	1	30		IKEFHO
CCCCCCCCN1CCC[C@@H](NC(=O)CCCCCCCCC[NH+]2CCCCC2)C1	ZINC000042784639	563115753	/nfs/dbraw/zinc/11/57/53/563115753.db2.gz	GPAHJJJOOPKSHC-HHHXNRCGSA-N	1	3	449.768	6.534	1	30		IKEFHO
CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OC)cc23)[C@@H](C[NH2+]C)C1	ZINC000049917897	563140701	/nfs/dbraw/zinc/14/07/01/563140701.db2.gz	UAVREYVZXAFXEK-VWNXMTODSA-N	1	3	425.661	5.694	1	30		IKEFHO
C[NH2+]Cc1cc(C#CCCN2CCC(F)CC2)ccc1Oc1ccc(Cl)c(Cl)c1	ZINC000028825145	563066273	/nfs/dbraw/zinc/06/62/73/563066273.db2.gz	QSADIYOOZUGQQY-UHFFFAOYSA-N	1	3	435.370	5.681	1	30		IKEFHO
CCC/C(=N\c1ccc2c(c1)C(=O)c1ccc(/[NH+]=C(\CCC)N(C)C)cc1C2=O)N(C)C	ZINC000090210905	563180515	/nfs/dbraw/zinc/18/05/15/563180515.db2.gz	GPIIKZUBALLJRE-LMCGJEQXSA-N	1	3	432.568	5.245	1	30		IKEFHO