smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1ccccc1COc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1	ZINC000010314022	556330362	/nfs/dbraw/zinc/33/03/62/556330362.db2.gz	ZQTPUIRYBDOJCY-UHFFFAOYSA-N	2	2	434.765	5.058	10	0		IKAELP
Clc1ccc(COc2ccc(Br)cc2C[NH2+]CCCn2cc[nH+]c2)cc1	ZINC000010314019	556330428	/nfs/dbraw/zinc/33/04/28/556330428.db2.gz	ZRRVIPUZCXVSOY-UHFFFAOYSA-N	2	2	434.765	5.058	10	0		IKAELP
Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCn2cc[nH+]c2)c(Cl)c1	ZINC000010314002	556330493	/nfs/dbraw/zinc/33/04/93/556330493.db2.gz	ZLNUINZEFXUMCF-UHFFFAOYSA-N	2	2	440.374	6.102	10	0		IKAELP
CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccc(Cl)cc1Cl	ZINC000010314013	556330503	/nfs/dbraw/zinc/33/05/03/556330503.db2.gz	BYYOQRYPRLCLAF-UHFFFAOYSA-N	2	2	434.367	5.348	10	0		IKAELP
Cc1c(C[NH2+]CCCn2cc[nH+]c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	ZINC000039279947	556627706	/nfs/dbraw/zinc/62/77/06/556627706.db2.gz	MAWZMTAVTSPZAT-UHFFFAOYSA-N	2	2	427.379	5.681	10	0		IKAELP
CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21	ZINC000022936068	557053048	/nfs/dbraw/zinc/05/30/48/557053048.db2.gz	YYXGXBNTMHHICC-NRFANRHFSA-N	2	2	443.418	6.300	10	0		IKAELP
CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21	ZINC000022936068	557053049	/nfs/dbraw/zinc/05/30/49/557053049.db2.gz	YYXGXBNTMHHICC-NRFANRHFSA-N	2	2	443.418	6.300	10	0		IKAELP
CC(C)CCOc1ccc2[nH]c(-c3cc(NC[C@H]4CCCn5cc[nH+]c54)cc[nH+]3)cc2c1	ZINC000225465495	557725874	/nfs/dbraw/zinc/72/58/74/557725874.db2.gz	ZOEOVSRGJJYPIB-LJQANCHMSA-N	2	2	429.568	5.841	10	0		IKAELP
CCOc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccc(Cl)cc1Cl	ZINC000013717497	556288029	/nfs/dbraw/zinc/28/80/29/556288029.db2.gz	IERHIXAURRVCKS-UHFFFAOYSA-N	2	2	434.367	5.348	10	0		IKAELP
Clc1ccc([C@@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)cc1	ZINC000028604070	563059665	/nfs/dbraw/zinc/05/96/65/563059665.db2.gz	IAQQCLOGRBFIBC-HHHXNRCGSA-N	2	2	427.979	5.973	10	0		IKAELP
Clc1ccc([C@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)cc1	ZINC000028604072	563059670	/nfs/dbraw/zinc/05/96/70/563059670.db2.gz	IAQQCLOGRBFIBC-MHZLTWQESA-N	2	2	427.979	5.973	10	0		IKAELP
CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21	ZINC000022936065	557053040	/nfs/dbraw/zinc/05/30/40/557053040.db2.gz	YYXGXBNTMHHICC-OAQYLSRUSA-N	2	2	443.418	6.300	10	0		IKAELP
CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21	ZINC000022936065	557053041	/nfs/dbraw/zinc/05/30/41/557053041.db2.gz	YYXGXBNTMHHICC-OAQYLSRUSA-N	2	2	443.418	6.300	10	0		IKAELP
c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH+]1CCC([NH+]2CCCC2)CC1	ZINC000012430264	526402467	/nfs/dbraw/zinc/40/24/67/526402467.db2.gz	XXFAEASQQBKFIV-UHFFFAOYSA-N	2	2	440.591	5.405	10	0		IKAELP
Clc1ccc(COc2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2Br)cc1	ZINC000010314139	556330410	/nfs/dbraw/zinc/33/04/10/556330410.db2.gz	UGLHWGHMOWTHTJ-UHFFFAOYSA-N	2	2	434.765	5.058	10	0		IKAELP
CC(C)CCOc1ccc2[nH]c(-c3cc(NC[C@@H]4CCCn5cc[nH+]c54)cc[nH+]3)cc2c1	ZINC000225465460	557725840	/nfs/dbraw/zinc/72/58/40/557725840.db2.gz	ZOEOVSRGJJYPIB-IBGZPJMESA-N	2	2	429.568	5.841	10	0		IKAELP
CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCc1ccccc1Cl	ZINC000010314037	556330397	/nfs/dbraw/zinc/33/03/97/556330397.db2.gz	ZDMHXMIWYHPUMR-UHFFFAOYSA-N	2	2	434.367	5.348	10	0		IKAELP
CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000010314036	556330478	/nfs/dbraw/zinc/33/04/78/556330478.db2.gz	NOIWTQFEWMKMPA-UHFFFAOYSA-N	2	2	434.367	5.348	10	0		IKAELP