smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@H+]1C[C@H](C(=O)N(CCC[N+](C)(C)[O-])C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000077285155	569705319	/nfs/dbraw/zinc/70/53/19/569705319.db2.gz	MWKMKARCRODSLP-KJXAQDMKSA-N	1	1	467.614	3.207	10	30	in-vitro	JGEEMO
C=CCOC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C(C)C	ZINC000036207707	128298803	/nfs/dbraw/zinc/29/88/03/128298803.db2.gz	PPIVJEQOZAFEPU-KRWDZBQOSA-N	1	1	473.595	3.443	10	30		JGEEMO
C=CCOC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C(C)C	ZINC000036207707	128298809	/nfs/dbraw/zinc/29/88/09/128298809.db2.gz	PPIVJEQOZAFEPU-KRWDZBQOSA-N	1	1	473.595	3.443	10	30		JGEEMO
C=CCOC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C(C)C	ZINC000036207708	518996882	/nfs/dbraw/zinc/99/68/82/518996882.db2.gz	PPIVJEQOZAFEPU-QGZVFWFLSA-N	1	1	473.595	3.443	10	30		JGEEMO
C=CCOC[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C(C)C	ZINC000036207708	518996891	/nfs/dbraw/zinc/99/68/91/518996891.db2.gz	PPIVJEQOZAFEPU-QGZVFWFLSA-N	1	1	473.595	3.443	10	30		JGEEMO
C=CC[N@H+]1C[C@H](C(=O)N(CCC[N+](C)(C)[O-])C(=O)NCC)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000575627208	717184171	/nfs/dbraw/zinc/18/41/71/717184171.db2.gz	PVSISCRNUVGVEK-UNWVZKJWSA-O	1	1	468.622	3.098	10	30		JGEEMO