smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cccc(C[N@@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CC2)c1	ZINC000217739723	359024561	/nfs/dbraw/zinc/02/45/61/359024561.db2.gz	UNYDPZFWDIMCLE-ZSHCYNCHSA-N	2	1	258.365	1.822	50	70		CDIAMP
C[N@H+]1CCC[C@@H]1CCN(CCO)Cc1ccccc1	ZINC000161407977	364489968	/nfs/dbraw/zinc/48/99/68/364489968.db2.gz	DPWROUIZULKTNM-MRXNPFEDSA-N	2	1	262.397	1.965	50	70		CDIAMP
C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)Cc1ccccc1	ZINC000161407977	364489976	/nfs/dbraw/zinc/48/99/76/364489976.db2.gz	DPWROUIZULKTNM-MRXNPFEDSA-N	2	1	262.397	1.965	50	70		CDIAMP
C[N@H+]1CCC[C@@H]1CC[NH+](CCO)Cc1ccccc1	ZINC000161407977	364489982	/nfs/dbraw/zinc/48/99/82/364489982.db2.gz	DPWROUIZULKTNM-MRXNPFEDSA-N	2	1	262.397	1.965	50	70		CDIAMP
C[NH+]1CCC[C@@H]1CC[N@H+](CCO)Cc1ccccc1	ZINC000161407977	364489988	/nfs/dbraw/zinc/48/99/88/364489988.db2.gz	DPWROUIZULKTNM-MRXNPFEDSA-N	2	1	262.397	1.965	50	70		CDIAMP
C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)Cc1ccccc1	ZINC000161407977	364489995	/nfs/dbraw/zinc/48/99/95/364489995.db2.gz	DPWROUIZULKTNM-MRXNPFEDSA-N	2	1	262.397	1.965	50	70		CDIAMP
C[N@H+]1CCC[C@@H]1CCN1CCN(c2cccc(O)c2)CC1	ZINC000161318576	364478107	/nfs/dbraw/zinc/47/81/07/364478107.db2.gz	GBGCWCGWDHNHCR-OAHLLOKOSA-N	2	1	289.423	1.999	50	70		CDIAMP
COc1ccc(CC[N@@H+](C)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)cc1OC	ZINC000217616515	295119438	/nfs/dbraw/zinc/11/94/38/295119438.db2.gz	FXYWYJSUTRIURW-FICVDOATSA-N	2	1	290.407	1.644	50	70		CDIAMP
Cc1ccc[nH+]c1NCCNc1cc(C2CC([NH3+])C2)ncn1	ZINC000218570920	359058007	/nfs/dbraw/zinc/05/80/07/359058007.db2.gz	SBTIXRFIWFHHDO-UHFFFAOYSA-N	2	1	298.394	1.909	50	70		CDIAMP
CCc1nccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)n1	ZINC000217349125	358994770	/nfs/dbraw/zinc/99/47/70/358994770.db2.gz	IDRSAOKZANJTOM-ZSOGYDGISA-N	2	1	260.385	1.278	50	70		CDIAMP
CC[N@@H+]1CC[C@@H](CN(C)Cc2c[nH+]c(C)n2C)C1	ZINC000217448260	359003181	/nfs/dbraw/zinc/00/31/81/359003181.db2.gz	QTZBMZPIZGBSHS-ZDUSSCGKSA-N	2	1	250.390	1.502	50	70		CDIAMP
CC[N@H+]1CC[C@@H](CN(C)Cc2c[nH+]c(C)n2C)C1	ZINC000217448260	359003184	/nfs/dbraw/zinc/00/31/84/359003184.db2.gz	QTZBMZPIZGBSHS-ZDUSSCGKSA-N	2	1	250.390	1.502	50	70		CDIAMP
CC(=O)c1cc(C[N@@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)n(C)c1	ZINC000217605291	359013449	/nfs/dbraw/zinc/01/34/49/359013449.db2.gz	BXGASHYKYOZHBL-PHZGNYQRSA-N	2	1	275.396	1.467	50	70		CDIAMP
c1ccc(-c2ncc3c(n2)C[N@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)C3)cc1	ZINC000216925860	358970273	/nfs/dbraw/zinc/97/02/73/358970273.db2.gz	UFTPZNNDZTWKMN-ZSHCYNCHSA-N	2	1	292.386	1.925	50	70		CDIAMP
c1ccc(-c2ncc3c(n2)C[N@@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)C3)cc1	ZINC000216925860	358970274	/nfs/dbraw/zinc/97/02/74/358970274.db2.gz	UFTPZNNDZTWKMN-ZSHCYNCHSA-N	2	1	292.386	1.925	50	70		CDIAMP
CC(C)=CC[N@@H+]1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1	ZINC000218694796	277324831	/nfs/dbraw/zinc/32/48/31/277324831.db2.gz	VCBYQBJYRWGCSC-INIZCTEOSA-N	2	1	292.427	1.650	50	70		CDIAMP
OCCC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12	ZINC000217096539	358979234	/nfs/dbraw/zinc/97/92/34/358979234.db2.gz	DCXZGCYVDDEDFJ-ZSHCYNCHSA-N	2	1	294.826	1.990	50	70		CDIAMP
CC[N@@H+]1CC[C@H](CN(C)Cc2c[nH+]c(C)n2C)C1	ZINC000217448356	359003286	/nfs/dbraw/zinc/00/32/86/359003286.db2.gz	QTZBMZPIZGBSHS-CYBMUJFWSA-N	2	1	250.390	1.502	50	70		CDIAMP
CC[N@H+]1CC[C@H](CN(C)Cc2c[nH+]c(C)n2C)C1	ZINC000217448356	359003287	/nfs/dbraw/zinc/00/32/87/359003287.db2.gz	QTZBMZPIZGBSHS-CYBMUJFWSA-N	2	1	250.390	1.502	50	70		CDIAMP