smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccccc6I)nc5c4)nc3c2)CC1	ZINC000113618924	571440864	/nfs/dbraw/zinc/44/08/64/571440864.db2.gz	UOHARKYRPCGBEI-UHFFFAOYSA-N	1	0	534.405	5.130	30	0		KKACRO
CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc54)c3)cc2C(F)(F)F)CC1	ZINC000100070334	554200951	/nfs/dbraw/zinc/20/09/51/554200951.db2.gz	RWNAOXLCVXJMGM-UHFFFAOYSA-N	1	0	552.601	5.776	30	0		KKACRO
C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6cccc(I)c6)nc5c4)nc3c2)CC1	ZINC000002047211	551737076	/nfs/dbraw/zinc/73/70/76/551737076.db2.gz	ZEXOKHKEQNNOBG-UHFFFAOYSA-N	1	0	534.405	5.130	30	0	in-vitro	KKACRO
O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2o1	ZINC000114314281	1069723185	/nfs/dbraw/zinc/72/31/85/1069723185.db2.gz	LKEAXBYFCTZTLD-UHFFFAOYSA-N	1	0	578.635	6.289	30	0		KKACRO
CC(C)[NH2+]C[C@H](O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21	ZINC000008398879	552999875	/nfs/dbraw/zinc/99/98/75/552999875.db2.gz	BLTONWSCODZCNA-DEOSSOPVSA-N	1	0	505.662	6.347	30	0		KKACRO
O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc21	ZINC000042834601	554296660	/nfs/dbraw/zinc/29/66/60/554296660.db2.gz	BTUWHHFNOHVCMQ-UHFFFAOYSA-N	1	0	539.643	5.817	30	0	in-vivo	KKACRO
CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C1/CCCC(/C=C/C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)=C1Cl	ZINC000059298568	554388109	/nfs/dbraw/zinc/38/81/09/554388109.db2.gz	OYVKEIIHSIVUMC-UHFFFAOYSA-N	1	0	612.281	11.250	30	0		KKACRO
CC(C)[NH2+]C[C@@H](O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21	ZINC000008398883	561705503	/nfs/dbraw/zinc/70/55/03/561705503.db2.gz	BLTONWSCODZCNA-XMMPIXPASA-N	1	0	505.662	6.347	30	0		KKACRO
C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(I)cc6)nc5c4)nc3c2)CC1	ZINC000113618708	571440819	/nfs/dbraw/zinc/44/08/19/571440819.db2.gz	WSBVZEKIZWIJQO-UHFFFAOYSA-N	1	0	534.405	5.130	30	0	in-vitro	KKACRO