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](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@@H+](C)C1	ZINC000040375124	205068117	/nfs/dbraw/zinc/06/81/17/205068117.db2.gz	YLCYDARNSJPGCV-ANTXTCRVSA-N	1	1	356.466	2.451	1	10		FECFMO
O=C1c2ccccc2C(=O)c2c(NCC[N@H+]3CCC[C@H]3CO)cccc21	ZINC000040567898	208257587	/nfs/dbraw/zinc/25/75/87/208257587.db2.gz	YZAUGTZIQSGILV-AWEZNQCLSA-N	1	1	350.418	2.331	1	10		FECFMO
O=C1c2ccccc2C(=O)c2c(NCC[N@@H+]3CCC[C@H]3CO)cccc21	ZINC000040567898	208257593	/nfs/dbraw/zinc/25/75/93/208257593.db2.gz	YZAUGTZIQSGILV-AWEZNQCLSA-N	1	1	350.418	2.331	1	10		FECFMO
[NH3+]CC(=O)OCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064454494	212039395	/nfs/dbraw/zinc/03/93/95/212039395.db2.gz	UXQDORMIEPPPPN-UHFFFAOYSA-N	1	1	362.385	2.105	1	10		FECFMO
CN(C)S(=O)(=O)C[C@@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@@H+](C)C1	ZINC000009224265	560211162	/nfs/dbraw/zinc/21/11/62/560211162.db2.gz	WYCMFCPHWDZHMR-SKDZVZGDSA-N	1	1	361.511	2.030	1	10	in-vitro	FECFMO
COc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1	ZINC000053224609	136124713	/nfs/dbraw/zinc/12/47/13/136124713.db2.gz	CHPZSVIXPWGKFQ-UHFFFAOYSA-N	1	1	353.422	2.348	1	10		FECFMO
CN(C)S(=O)(=O)C[C@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@@H+](C)C1	ZINC000007997205	560206657	/nfs/dbraw/zinc/20/66/57/560206657.db2.gz	WYCMFCPHWDZHMR-OWQGQXMQSA-N	1	1	361.511	2.030	1	10	in-vitro	FECFMO
C[N@@H+]1CCc2cc(OCCOCCO)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000040848455	205082580	/nfs/dbraw/zinc/08/25/80/205082580.db2.gz	LUIRUBNQVJTQKP-QGZVFWFLSA-N	1	1	371.433	2.238	1	10	in-vivo	FECFMO
C[N@H+]1CCc2cc(OCCOCCO)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000040848455	205082585	/nfs/dbraw/zinc/08/25/85/205082585.db2.gz	LUIRUBNQVJTQKP-QGZVFWFLSA-N	1	1	371.433	2.238	1	10	in-vivo	FECFMO
Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)NCCC[NH+]1CCOCC1)N2	ZINC000015952459	211151108	/nfs/dbraw/zinc/15/11/08/211151108.db2.gz	OXELZNVPSDQLBN-SQGPQFPESA-N	1	1	355.482	2.287	1	10		FECFMO
Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)NCCC[NH+]1CCOCC1)N2	ZINC000015952461	220173006	/nfs/dbraw/zinc/17/30/06/220173006.db2.gz	OXELZNVPSDQLBN-ABSDTBQOSA-N	1	1	355.482	2.287	1	10		FECFMO
COc1ccc(N2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1	ZINC000000578178	524430024	/nfs/dbraw/zinc/43/00/24/524430024.db2.gz	MOWGNBXIJRPPMR-UHFFFAOYSA-N	1	1	353.422	2.348	1	10		FECFMO