smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](N)CC[NH+](C1CCCCC1)C1CCCCC1	ZINC000037401905	173178473	/nfs/dbraw/zinc/17/84/73/173178473.db2.gz	FRXBNNVQEIEROV-AWEZNQCLSA-N	1	3	252.446	3.691	40	0		CHABHO
C1C[C@H]2C[C@@H]1C[C@@H]2N1CCC([NH+]2CCCCCC2)CC1	ZINC000000546969	567833191	/nfs/dbraw/zinc/83/31/91/567833191.db2.gz	XCZBNZIWHQGJOM-RYRKJORJSA-N	1	3	276.468	3.515	40	0		CHABHO
C1C[C@H]2C[C@@H]1C[C@@H]2[NH+]1CCC(N2CCCCCC2)CC1	ZINC000000546969	567833192	/nfs/dbraw/zinc/83/31/92/567833192.db2.gz	XCZBNZIWHQGJOM-RYRKJORJSA-N	1	3	276.468	3.515	40	0		CHABHO
Cc1cc(NCC[NH3+])c2cc(Oc3ccccc3)ccc2n1	ZINC000222690807	567949130	/nfs/dbraw/zinc/94/91/30/567949130.db2.gz	VTSAYWPCIRYYRZ-UHFFFAOYSA-N	1	3	293.370	3.706	40	0		CHABHO
CCCCc1ccc2nc(C)cc(NCCC[NH2+]C)c2c1	ZINC000222692258	567948877	/nfs/dbraw/zinc/94/88/77/567948877.db2.gz	RYKNYACOYIHHCM-UHFFFAOYSA-N	1	3	285.435	3.907	40	0		CHABHO
C[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cccs3)C[C@@H]21	ZINC000096058308	185078809	/nfs/dbraw/zinc/07/88/09/185078809.db2.gz	CAEWSVAAPWBPMF-BZSNNMDCSA-N	1	3	298.455	3.580	40	0		CHABHO
Cc1ccc(C[NH+]2CCC3(CCCCN3C)CC2)s1	ZINC000096051196	185074598	/nfs/dbraw/zinc/07/45/98/185074598.db2.gz	LMVPZWYVKMSTQB-UHFFFAOYSA-N	1	3	278.465	3.507	40	0		CHABHO
CCCCc1ccc2nccc(NCCC[NH2+]C)c2c1	ZINC000222683223	529028134	/nfs/dbraw/zinc/02/81/34/529028134.db2.gz	GAMNBMXCCKNDPW-UHFFFAOYSA-N	1	3	271.408	3.599	40	0		CHABHO
CCCCc1ccc2nc(C)cc(NCCC[NH3+])c2c1	ZINC000222692166	567949040	/nfs/dbraw/zinc/94/90/40/567949040.db2.gz	BVKXPSUFQDBSOH-UHFFFAOYSA-N	1	3	271.408	3.647	40	0		CHABHO
C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCC([NH+]2CCCCCC2)CC1	ZINC000004703442	170002134	/nfs/dbraw/zinc/00/21/34/170002134.db2.gz	PXTVFPROXZRZNC-FGTMMUONSA-N	1	3	288.479	3.539	40	0		CHABHO
C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCC(N2CCCCCC2)CC1	ZINC000004703442	170002135	/nfs/dbraw/zinc/00/21/35/170002135.db2.gz	PXTVFPROXZRZNC-FGTMMUONSA-N	1	3	288.479	3.539	40	0		CHABHO
CC[C@H](C(=O)OCC[NH2+]C1CCCCC1)c1ccccc1	ZINC000006412040	170199544	/nfs/dbraw/zinc/19/95/44/170199544.db2.gz	LQECUGGXALPWSL-KRWDZBQOSA-N	1	3	289.419	3.646	40	0		CHABHO
C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCC([NH+]2CCCCCC2)CC1	ZINC000004703441	170002120	/nfs/dbraw/zinc/00/21/20/170002120.db2.gz	PXTVFPROXZRZNC-SQNIBIBYSA-N	1	3	288.479	3.539	40	0		CHABHO
C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCC(N2CCCCCC2)CC1	ZINC000004703441	170002122	/nfs/dbraw/zinc/00/21/22/170002122.db2.gz	PXTVFPROXZRZNC-SQNIBIBYSA-N	1	3	288.479	3.539	40	0		CHABHO
C[C@@H](N)CC[NH+](C1CCCCC1)C1CCCCC1	ZINC000037401907	173178727	/nfs/dbraw/zinc/17/87/27/173178727.db2.gz	FRXBNNVQEIEROV-CQSZACIVSA-N	1	3	252.446	3.691	40	0		CHABHO
[NH3+]CCCNc1ccnc2ccc(Oc3ccccc3)cc21	ZINC000222681827	534616111	/nfs/dbraw/zinc/61/61/11/534616111.db2.gz	WPLUKJNGDDLBDC-UHFFFAOYSA-N	1	3	293.370	3.788	40	0		CHABHO
CN1C(C)(C)CC([NH2+]C2CCCCC2)CC1(C)C	ZINC000255189147	1121697144	/nfs/dbraw/zinc/69/71/44/1121697144.db2.gz	OAOUGXMXMLQBRL-UHFFFAOYSA-N	1	3	252.446	3.560	40	0		CHABHO
CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(CC3CC3)C[C@@H]21	ZINC000096058333	185079010	/nfs/dbraw/zinc/07/90/10/185079010.db2.gz	YUNIKDZJGSHJDL-FHWLQOOXSA-N	1	3	284.447	3.507	40	0		CHABHO
CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(CC3CC3)C[C@@H]21	ZINC000096058333	185079012	/nfs/dbraw/zinc/07/90/12/185079012.db2.gz	YUNIKDZJGSHJDL-FHWLQOOXSA-N	1	3	284.447	3.507	40	0		CHABHO
C[NH2+]CCCNc1cc(C)nc2ccc(C(C)C)cc21	ZINC000222686533	529971586	/nfs/dbraw/zinc/97/15/86/529971586.db2.gz	ZABBVYLTUJHQGT-UHFFFAOYSA-N	1	3	271.408	3.688	40	0		CHABHO
CC[C@@](O)(CC[NH+]1CC2CCC(CC2)C1)c1ccccc1	ZINC000006412180	170199373	/nfs/dbraw/zinc/19/93/73/170199373.db2.gz	PIVURKQKLSUAKN-FAFZWHIHSA-N	1	3	287.447	3.796	40	0		CHABHO
CC1(C)CC([NH2+]CCc2c[nH]c3ccccc23)CC(C)(C)N1	ZINC000002475696	567846006	/nfs/dbraw/zinc/84/60/06/567846006.db2.gz	LATUUAMNZPPURS-UHFFFAOYSA-N	1	3	299.462	3.609	40	0		CHABHO
CC1(C)CC(NCCc2c[nH]c3ccccc23)CC(C)(C)[NH2+]1	ZINC000002475696	567846008	/nfs/dbraw/zinc/84/60/08/567846008.db2.gz	LATUUAMNZPPURS-UHFFFAOYSA-N	1	3	299.462	3.609	40	0		CHABHO
CC[C@@H](O)C[N@H+](C)Cc1cc2c(c3ccccc13)CCCC2	ZINC000006412424	170199383	/nfs/dbraw/zinc/19/93/83/170199383.db2.gz	QDDATMKERRMHIA-QGZVFWFLSA-N	1	3	297.442	3.921	40	0		CHABHO
CC[C@@H](O)C[N@@H+](C)Cc1cc2c(c3ccccc13)CCCC2	ZINC000006412424	170199386	/nfs/dbraw/zinc/19/93/86/170199386.db2.gz	QDDATMKERRMHIA-QGZVFWFLSA-N	1	3	297.442	3.921	40	0		CHABHO
C[NH2+]CCCNc1cc(C)nc2c(C)ccc(Cl)c12	ZINC000222688889	529971743	/nfs/dbraw/zinc/97/17/43/529971743.db2.gz	VOWWOTBLQVHKLJ-UHFFFAOYSA-N	1	3	277.799	3.526	40	0		CHABHO
C1C[C@H]2C[C@@H]1C[C@H]2N1CCC([NH+]2CCCCCC2)CC1	ZINC000101683668	567914929	/nfs/dbraw/zinc/91/49/29/567914929.db2.gz	XCZBNZIWHQGJOM-SOLBZPMBSA-N	1	3	276.468	3.515	40	0		CHABHO
C1C[C@H]2C[C@@H]1C[C@H]2[NH+]1CCC(N2CCCCCC2)CC1	ZINC000101683668	567914931	/nfs/dbraw/zinc/91/49/31/567914931.db2.gz	XCZBNZIWHQGJOM-SOLBZPMBSA-N	1	3	276.468	3.515	40	0		CHABHO