smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)[nH+]1	ZINC000128072545	887144081	/nfs/dbraw/zinc/14/40/81/887144081.db2.gz	VWXVQCPWGRLCGI-IBGZPJMESA-N	2	1	380.536	3.546	10	10		GHCEMP
Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(N4CCC(O)CC4)cc3)CC2)[nH+]c1	ZINC000163452911	842994032	/nfs/dbraw/zinc/99/40/32/842994032.db2.gz	BLSPUTMBAPSIFV-LJQANCHMSA-N	2	1	394.563	3.671	10	10		GHCEMP
Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(N4CCC(O)CC4)cc3)CC2)[nH+]1	ZINC000128080416	887143798	/nfs/dbraw/zinc/14/37/98/887143798.db2.gz	UIXJTTSUHHHKRH-LJQANCHMSA-N	2	1	394.563	3.671	10	10		GHCEMP
Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)CC2)[nH+]c1	ZINC000163447665	842999531	/nfs/dbraw/zinc/99/95/31/842999531.db2.gz	IFHAABSLSHYKFU-LJQANCHMSA-N	2	1	380.536	3.546	10	10		GHCEMP
Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)[nH+]c1	ZINC000163537918	843009726	/nfs/dbraw/zinc/00/97/26/843009726.db2.gz	AONNGGZUQLZXMX-SFHVURJKSA-N	2	1	398.526	3.685	10	10		GHCEMP
Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)[nH+]c1	ZINC000163538015	843010180	/nfs/dbraw/zinc/01/01/80/843010180.db2.gz	AONNGGZUQLZXMX-GOSISDBHSA-N	2	1	398.526	3.685	10	10		GHCEMP
Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)[nH+]1	ZINC000128237245	887162032	/nfs/dbraw/zinc/16/20/32/887162032.db2.gz	BQGAQWMJZBFFKP-GOSISDBHSA-N	2	1	398.526	3.685	10	10		GHCEMP
Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCC(O)CC4)cc3)CC2)[nH+]c1	ZINC000163452785	842994157	/nfs/dbraw/zinc/99/41/57/842994157.db2.gz	BLSPUTMBAPSIFV-IBGZPJMESA-N	2	1	394.563	3.671	10	10		GHCEMP
Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)[nH+]c1	ZINC000163447563	843000026	/nfs/dbraw/zinc/00/00/26/843000026.db2.gz	IFHAABSLSHYKFU-IBGZPJMESA-N	2	1	380.536	3.546	10	10		GHCEMP
Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)[nH+]1	ZINC000128237012	887162517	/nfs/dbraw/zinc/16/25/17/887162517.db2.gz	BQGAQWMJZBFFKP-SFHVURJKSA-N	2	1	398.526	3.685	10	10		GHCEMP
C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCC(O)CC2)cc1	ZINC000195137886	888649302	/nfs/dbraw/zinc/64/93/02/888649302.db2.gz	MWPWVAXHUJLTOD-IRLDBZIGSA-N	2	1	393.575	3.820	10	10		GHCEMP
C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCC(O)CC2)cc1	ZINC000195137905	888649704	/nfs/dbraw/zinc/64/97/04/888649704.db2.gz	MWPWVAXHUJLTOD-IFMALSPDSA-N	2	1	393.575	3.820	10	10		GHCEMP
Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCC(O)CC4)cc3)CC2)[nH+]1	ZINC000128080188	887144010	/nfs/dbraw/zinc/14/40/10/887144010.db2.gz	UIXJTTSUHHHKRH-IBGZPJMESA-N	2	1	394.563	3.671	10	10		GHCEMP
C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCC(O)CC2)cc1	ZINC000195137896	888649414	/nfs/dbraw/zinc/64/94/14/888649414.db2.gz	MWPWVAXHUJLTOD-RBBKRZOGSA-N	2	1	393.575	3.820	10	10		GHCEMP
Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)CC2)[nH+]1	ZINC000128072768	887143708	/nfs/dbraw/zinc/14/37/08/887143708.db2.gz	VWXVQCPWGRLCGI-LJQANCHMSA-N	2	1	380.536	3.546	10	10		GHCEMP
C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCC(O)CC2)cc1	ZINC000195137870	888650019	/nfs/dbraw/zinc/65/00/19/888650019.db2.gz	MWPWVAXHUJLTOD-UNMCSNQZSA-N	2	1	393.575	3.820	10	10		GHCEMP