smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCn2cc[nH+]c2)cc1	ZINC000010314000	557859129	/nfs/dbraw/zinc/85/91/29/557859129.db2.gz	XVSNKFFZXANUJZ-UHFFFAOYSA-N	2	2	405.929	5.449	10	0		HKAELP
Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCCn1cc[nH+]c1	ZINC000010314001	557859384	/nfs/dbraw/zinc/85/93/84/557859384.db2.gz	RAWINISAWFEKEP-UHFFFAOYSA-N	2	2	405.929	5.449	10	0		HKAELP
Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCCn2cc[nH+]c2)cc1	ZINC000010314121	557859371	/nfs/dbraw/zinc/85/93/71/557859371.db2.gz	HXRNXGIVGPVHST-UHFFFAOYSA-N	2	2	404.341	5.257	10	0		HKAELP
CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCc1ccc(C)cc1	ZINC000010314127	557859465	/nfs/dbraw/zinc/85/94/65/557859465.db2.gz	HXVYWBUHCCKOPJ-UHFFFAOYSA-N	2	2	413.949	5.003	10	0		HKAELP
CCOc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccc(Cl)cc1Cl	ZINC000013736338	558588577	/nfs/dbraw/zinc/58/85/77/558588577.db2.gz	FDCQLZUCPFCEPX-UHFFFAOYSA-N	2	2	411.373	5.012	10	0		HKAELP
CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21	ZINC000022936056	558526591	/nfs/dbraw/zinc/52/65/91/558526591.db2.gz	NPXBODOKEKAFFP-JOCHJYFZSA-N	2	2	408.973	5.646	10	0		HKAELP
CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21	ZINC000022936056	558526593	/nfs/dbraw/zinc/52/65/93/558526593.db2.gz	NPXBODOKEKAFFP-JOCHJYFZSA-N	2	2	408.973	5.646	10	0		HKAELP
CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21	ZINC000022936058	558526735	/nfs/dbraw/zinc/52/67/35/558526735.db2.gz	NPXBODOKEKAFFP-QFIPXVFZSA-N	2	2	408.973	5.646	10	0		HKAELP
CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21	ZINC000022936058	558526739	/nfs/dbraw/zinc/52/67/39/558526739.db2.gz	NPXBODOKEKAFFP-QFIPXVFZSA-N	2	2	408.973	5.646	10	0		HKAELP
CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21	ZINC000022936060	558526873	/nfs/dbraw/zinc/52/68/73/558526873.db2.gz	FFVYYHKCWGBDMH-OAQYLSRUSA-N	2	2	408.973	5.646	10	0		HKAELP
CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21	ZINC000022936060	558526875	/nfs/dbraw/zinc/52/68/75/558526875.db2.gz	FFVYYHKCWGBDMH-OAQYLSRUSA-N	2	2	408.973	5.646	10	0		HKAELP
CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21	ZINC000022936063	558526754	/nfs/dbraw/zinc/52/67/54/558526754.db2.gz	FFVYYHKCWGBDMH-NRFANRHFSA-N	2	2	408.973	5.646	10	0		HKAELP
CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21	ZINC000022936063	558526756	/nfs/dbraw/zinc/52/67/56/558526756.db2.gz	FFVYYHKCWGBDMH-NRFANRHFSA-N	2	2	408.973	5.646	10	0		HKAELP
CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936877	558527011	/nfs/dbraw/zinc/52/70/11/558527011.db2.gz	MQJLOWXSCKXKNZ-HXUWFJFHSA-N	2	2	416.396	5.570	10	0		HKAELP
CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936877	558527015	/nfs/dbraw/zinc/52/70/15/558527015.db2.gz	MQJLOWXSCKXKNZ-HXUWFJFHSA-N	2	2	416.396	5.570	10	0		HKAELP
CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936880	558527057	/nfs/dbraw/zinc/52/70/57/558527057.db2.gz	MQJLOWXSCKXKNZ-FQEVSTJZSA-N	2	2	416.396	5.570	10	0		HKAELP
CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936880	558527060	/nfs/dbraw/zinc/52/70/60/558527060.db2.gz	MQJLOWXSCKXKNZ-FQEVSTJZSA-N	2	2	416.396	5.570	10	0		HKAELP
COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4cccnc4)C=C3C)[nH+]c2c1	ZINC000077262138	291295527	/nfs/dbraw/zinc/29/55/27/291295527.db2.gz	RSCZVEUBRUJZLF-FUDKSRODSA-N	2	2	418.585	5.153	10	0		HKAELP
COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccncc4)C=C3C)[nH+]c2c1	ZINC000077262142	291295536	/nfs/dbraw/zinc/29/55/36/291295536.db2.gz	CSPMMYNJFJIYJR-FUDKSRODSA-N	2	2	418.585	5.153	10	0		HKAELP
CC1=C[C@@H](C[NH2+]Cc2ncc[nH]2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(Cl)cc2[nH+]1	ZINC000077262210	291290554	/nfs/dbraw/zinc/29/05/54/291290554.db2.gz	WDWVCDOOUNQTCJ-LNLFQRSKSA-N	2	2	411.981	5.126	10	0	biogenic	HKAELP