smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000043307817	563169533	/nfs/dbraw/zinc/16/95/33/563169533.db2.gz	YBPVSWMWFFMQSQ-RPWUZVMVSA-N	1	3	452.728	4.641	1	30		JJEFHO
C=CCNc1nc(NCCC)nc(N2CCC([NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1	ZINC000013650781	562981635	/nfs/dbraw/zinc/98/16/35/562981635.db2.gz	QSVBNJSKRLAJFZ-UHFFFAOYSA-N	1	3	493.606	4.918	1	30		JJEFHO
CC[NH+]1CCC(c2cc(C(=O)/C=C/c3ccc(N4CCN(C)CC4)cc3)c(OC)cc2OC)CC1	ZINC000029064262	563094190	/nfs/dbraw/zinc/09/41/90/563094190.db2.gz	DMUXAQUWLHKOOY-DHZHZOJOSA-N	1	3	477.649	4.551	1	30		JJEFHO
Cc1cccc2c1nc1c(C)cccc1c2Nc1ccc(NS(=O)(=O)CCCCNC(N)=[NH2+])cc1	ZINC000026836247	563036569	/nfs/dbraw/zinc/03/65/69/563036569.db2.gz	JCZWMYNMUYQNIV-UHFFFAOYSA-N	1	3	490.633	4.544	1	30		JJEFHO
C=CCNc1nc(NCCC)nc(N2CCC([NH2+]CC3c4ccccc4CCc4ccccc43)CC2)n1	ZINC000013650740	562981288	/nfs/dbraw/zinc/98/12/88/562981288.db2.gz	IVRJVVSUGFNDIK-UHFFFAOYSA-N	1	3	497.691	4.781	1	30		JJEFHO
C=CCNc1nc(NCCC)nc(N2CCC([NH2+]CC(c3ccccc3)c3ccccc3)CC2)n1	ZINC000013650731	562981485	/nfs/dbraw/zinc/98/14/85/562981485.db2.gz	YRPRRETWNJUMDH-UHFFFAOYSA-N	1	3	471.653	4.682	1	30		JJEFHO
CN1CCN(c2ccc(/C=C/C(=O)c3cccc(NCC[NH+](C)C)c3)cc2-c2ccccc2)CC1	ZINC000028474930	563065934	/nfs/dbraw/zinc/06/59/34/563065934.db2.gz	UOUDSDQTHDJESM-FYWRMAATSA-N	1	3	468.645	4.975	1	30		JJEFHO
CCCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000043307818	563169510	/nfs/dbraw/zinc/16/95/10/563169510.db2.gz	YBPVSWMWFFMQSQ-ZEQRLZLVSA-N	1	3	452.728	4.641	1	30		JJEFHO