smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H]1C[NH2+]C[C@@H]1[N@H+](CC)CCO	161005792	573628510	/nfs/dbraw/zinc/62/85/10/573628510.db2.gz	ZTSBXNWKIAWMHB-UWVGGRQHSA-N	2	2	186.299	0.299	10	70		ACIELP
CC[C@H]1C[NH2+]C[C@@H]1[N@@H+](CC)CCO	161005792	573628517	/nfs/dbraw/zinc/62/85/17/573628517.db2.gz	ZTSBXNWKIAWMHB-UWVGGRQHSA-N	2	2	186.299	0.299	10	70		ACIELP
CC[C@H]1C[NH2+]C[C@H]1[N@H+](CC)CCO	161006052	573628553	/nfs/dbraw/zinc/62/85/53/573628553.db2.gz	ZTSBXNWKIAWMHB-VHSXEESVSA-N	2	2	186.299	0.299	10	70		ACIELP
CC[C@H]1C[NH2+]C[C@H]1[N@@H+](CC)CCO	161006052	573628558	/nfs/dbraw/zinc/62/85/58/573628558.db2.gz	ZTSBXNWKIAWMHB-VHSXEESVSA-N	2	2	186.299	0.299	10	70		ACIELP
CC[C@@H]1C[NH2+]C[C@H]1[N@H+](CC)CCO	161005917	573628611	/nfs/dbraw/zinc/62/86/11/573628611.db2.gz	ZTSBXNWKIAWMHB-NXEZZACHSA-N	2	2	186.299	0.299	10	70		ACIELP
CC[C@@H]1C[NH2+]C[C@H]1[N@@H+](CC)CCO	161005917	573628625	/nfs/dbraw/zinc/62/86/25/573628625.db2.gz	ZTSBXNWKIAWMHB-NXEZZACHSA-N	2	2	186.299	0.299	10	70		ACIELP
Cc1[nH]c(C[NH2+]C(C)(C)[C@@H](C)O)c[nH+]1	160606977	571944565	/nfs/dbraw/zinc/94/45/65/571944565.db2.gz	BWAYAJQJYFYMSY-SSDOTTSWSA-N	2	2	197.282	0.967	10	70		ACIELP
C[C@H]1C[N@H+]([C@H](C)C(N)=[NH2+])CCCO1	217578756	344403526	/nfs/dbraw/zinc/40/35/26/344403526.db2.gz	IMCJDYSXCLBDSR-JGVFFNPUSA-N	2	2	185.271	0.422	10	70		ACIELP
C[C@H]1C[N@@H+]([C@H](C)C(N)=[NH2+])CCCO1	217578756	344403527	/nfs/dbraw/zinc/40/35/27/344403527.db2.gz	IMCJDYSXCLBDSR-JGVFFNPUSA-N	2	2	185.271	0.422	10	70		ACIELP
C[N@H+]1CCC[C@H]1CNCc1[nH]cc[nH+]1	218234862	344410501	/nfs/dbraw/zinc/41/05/01/344410501.db2.gz	ONILJAAEAZYVQX-VIFPVBQESA-N	2	2	194.282	0.594	10	70		ACIELP
CC[C@@H]1C[NH2+]C[C@@H]1[N@H+](CC)CCO	161005671	573629311	/nfs/dbraw/zinc/62/93/11/573629311.db2.gz	ZTSBXNWKIAWMHB-ZJUUUORDSA-N	2	2	186.299	0.299	10	70		ACIELP
CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+](CC)CCO	161005671	573629318	/nfs/dbraw/zinc/62/93/18/573629318.db2.gz	ZTSBXNWKIAWMHB-ZJUUUORDSA-N	2	2	186.299	0.299	10	70		ACIELP