smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)CCCNc1c2cccc(OC)c2[nH+]c2c1CCCC2	ZINC000001683247	206390015	/nfs/dbraw/zinc/39/00/15/206390015.db2.gz	POUSHEJKJSINNT-UHFFFAOYSA-N	2	1	397.607	5.826	40	0		GKABMP
CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2[nH+]cc1-c1ccccc1	ZINC000006382059	570478331	/nfs/dbraw/zinc/47/83/31/570478331.db2.gz	PLCHDCWWUWAKPR-GOSISDBHSA-N	2	1	395.978	6.478	40	0		GKABMP
C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5ccccc5)cc34)cc2)CC1	ZINC000004253160	570896330	/nfs/dbraw/zinc/89/63/30/570896330.db2.gz	YMBNETKULXIEPR-UHFFFAOYSA-N	2	1	394.522	5.397	40	0		GKABMP
C[NH+](C)CCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21	ZINC000008373822	570529676	/nfs/dbraw/zinc/52/96/76/570529676.db2.gz	YMWQRYFTHDAYCT-UHFFFAOYSA-N	2	1	382.935	5.114	40	0		GKABMP
Clc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000034086996	570557509	/nfs/dbraw/zinc/55/75/09/570557509.db2.gz	LAOLCJGKLQTEKP-DQEYMECFSA-N	2	1	390.958	5.488	40	0		GKABMP
C[N@@H+](CC1CCCCCCC1)C1CCC2(CC1)C[NH+](C)Cc1ccccc1O2	ZINC000257253403	206167398	/nfs/dbraw/zinc/16/73/98/206167398.db2.gz	JYUQCBMQZRAYIV-UHFFFAOYSA-N	2	1	384.608	5.485	40	0		GKABMP
C[NH+](CC1CCCCCCC1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2	ZINC000257253403	206167403	/nfs/dbraw/zinc/16/74/03/206167403.db2.gz	JYUQCBMQZRAYIV-UHFFFAOYSA-N	2	1	384.608	5.485	40	0		GKABMP
C[NH+](CC1CCCCCCC1)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2	ZINC000257253403	206167406	/nfs/dbraw/zinc/16/74/06/206167406.db2.gz	JYUQCBMQZRAYIV-UHFFFAOYSA-N	2	1	384.608	5.485	40	0		GKABMP
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1	ZINC000216347394	570299235	/nfs/dbraw/zinc/29/92/35/570299235.db2.gz	ROFPHRSGGILNNN-FQEVSTJZSA-N	2	1	393.575	5.013	40	0		GKABMP
CCCCCC[NH+](CCCCCC)CCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000004428706	570375009	/nfs/dbraw/zinc/37/50/09/570375009.db2.gz	PEUOJPLXAYOHFK-UHFFFAOYSA-N	2	1	390.015	6.763	40	0		GKABMP
C[NH+](C)CCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21	ZINC000008373818	570529502	/nfs/dbraw/zinc/52/95/02/570529502.db2.gz	WQOQHSDADQEFDH-UHFFFAOYSA-N	2	1	382.935	5.114	40	0		GKABMP
Clc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)cc1	ZINC000013564356	570656901	/nfs/dbraw/zinc/65/69/01/570656901.db2.gz	LAOLCJGKLQTEKP-JWQCQUIFSA-N	2	1	390.958	5.488	40	0		GKABMP
CC[NH+](CC)CC[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(O)cc1	ZINC000001591925	209333502	/nfs/dbraw/zinc/33/35/02/209333502.db2.gz	HBKQCUYPHQEPGT-GOSISDBHSA-N	2	1	397.950	5.521	40	0		GKABMP
C(C[NH+](C1CCCCC1)C1CCCCC1)[NH+](C1CCCCC1)C1CCCCC1	ZINC000095793255	571094845	/nfs/dbraw/zinc/09/48/45/571094845.db2.gz	LJVHUNUMQUEARE-UHFFFAOYSA-N	2	1	388.684	6.921	40	0		GKABMP
CC[NH+](CC)CC[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)c1ccccc1	ZINC000001700327	206390248	/nfs/dbraw/zinc/39/02/48/206390248.db2.gz	MTCDAAIAIIMJHW-LJQANCHMSA-N	2	1	381.951	5.816	40	0		GKABMP
c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCCc4ccccc43)[C@@H](c3ccccc3)C2)cc1	ZINC000013563452	570656651	/nfs/dbraw/zinc/65/66/51/570656651.db2.gz	SUPUOCXWGNFONI-PKTNWEFCSA-N	2	1	396.578	5.712	40	0		GKABMP
c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1	ZINC000245227679	231040164	/nfs/dbraw/zinc/04/01/64/231040164.db2.gz	SUPUOCXWGNFONI-KCHLEUMXSA-N	2	1	396.578	5.712	40	0		GKABMP
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1	ZINC000216347357	570299215	/nfs/dbraw/zinc/29/92/15/570299215.db2.gz	ROFPHRSGGILNNN-HXUWFJFHSA-N	2	1	393.575	5.013	40	0		GKABMP
C[N@H+]1CCC[C@H]2[C@@H](c3ccccc3)[C@@H](C3=[NH+]CCCC3)[C@@H](c3ccccc3)C[C@@H]21	ZINC000033838155	570529739	/nfs/dbraw/zinc/52/97/39/570529739.db2.gz	MVIXAPHJOKOOEU-WKVBZGHZSA-N	2	1	386.583	5.909	40	0		GKABMP
Clc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000034086997	570557666	/nfs/dbraw/zinc/55/76/66/570557666.db2.gz	LAOLCJGKLQTEKP-LOSJGSFVSA-N	2	1	390.958	5.488	40	0		GKABMP
CC[NH+](CC)CC[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(O)cc1	ZINC000002042647	209343285	/nfs/dbraw/zinc/34/32/85/209343285.db2.gz	HBKQCUYPHQEPGT-SFHVURJKSA-N	2	1	397.950	5.521	40	0		GKABMP
CC[NH+](CC)CC[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)c1ccccc1	ZINC000002042881	212262128	/nfs/dbraw/zinc/26/21/28/212262128.db2.gz	MTCDAAIAIIMJHW-IBGZPJMESA-N	2	1	381.951	5.816	40	0		GKABMP
CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2[nH+]cc1-c1ccccc1	ZINC000001729657	206390292	/nfs/dbraw/zinc/39/02/92/206390292.db2.gz	PLCHDCWWUWAKPR-SFHVURJKSA-N	2	1	395.978	6.478	40	0		GKABMP
CCCC[NH+](CCCC)C1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000004726535	204069712	/nfs/dbraw/zinc/06/97/12/204069712.db2.gz	UVQYNXBFQQSKNC-UHFFFAOYSA-N	2	1	387.999	6.514	40	0		GKABMP
C[N@H+]1CCC[C@@H]2[C@@H](c3ccccc3)[C@@H](C3=[NH+]CCCC3)[C@@H](c3ccccc3)C[C@@H]21	ZINC000033838156	570529837	/nfs/dbraw/zinc/52/98/37/570529837.db2.gz	MVIXAPHJOKOOEU-ZCKMJCLDSA-N	2	1	386.583	5.909	40	0		GKABMP
c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1	ZINC000034086990	570557616	/nfs/dbraw/zinc/55/76/16/570557616.db2.gz	SUPUOCXWGNFONI-IARZGTGTSA-N	2	1	396.578	5.712	40	0		GKABMP
Clc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1	ZINC000034086985	570647080	/nfs/dbraw/zinc/64/70/80/570647080.db2.gz	JONOYXATECIXQY-UKILVPOCSA-N	2	1	390.958	5.488	40	0		GKABMP
c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCCc4ccccc43)[C@@H](c3ccccc3)C2)cc1	ZINC000013563450	570656752	/nfs/dbraw/zinc/65/67/52/570656752.db2.gz	SUPUOCXWGNFONI-FCEKVYKBSA-N	2	1	396.578	5.712	40	0		GKABMP
Clc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)cc1	ZINC000013564358	570850092	/nfs/dbraw/zinc/85/00/92/570850092.db2.gz	LAOLCJGKLQTEKP-RPBOFIJWSA-N	2	1	390.958	5.488	40	0		GKABMP