smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])(O)C(O)([C@H]1CCc2ccncc21)[P@@](=O)([O-])O	ZINC000026734753	581102263	/nfs/dbraw/zinc/10/22/63/581102263.db2.gz	WBALRBOBYFLYPZ-QMMMGPOBSA-N	-2	2	309.151	0.113	1	0		DCAFLL
O=P([O-])(O)C(O)([C@H]1CCc2ccncc21)[P@](=O)([O-])O	ZINC000026734753	581102264	/nfs/dbraw/zinc/10/22/64/581102264.db2.gz	WBALRBOBYFLYPZ-QMMMGPOBSA-N	-2	2	309.151	0.113	1	0		DCAFLL
O=P([O-])(O)C(Nc1ccc(Cl)cn1)[P@](=O)([O-])O	ZINC000006536597	181352021	/nfs/dbraw/zinc/35/20/21/181352021.db2.gz	BNMYZGAZFGNKTH-UHFFFAOYSA-N	-2	2	302.547	0.786	1	0	in-vivo	DCAFLL
O=P([O-])(O)C(Nc1ccc(Cl)cn1)[P@@](=O)([O-])O	ZINC000006536597	181352024	/nfs/dbraw/zinc/35/20/24/181352024.db2.gz	BNMYZGAZFGNKTH-UHFFFAOYSA-N	-2	2	302.547	0.786	1	0	in-vivo	DCAFLL
CCCCCC[S@@](=O)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000095582337	185380937	/nfs/dbraw/zinc/38/09/37/185380937.db2.gz	WCHKELVQXQOOHC-SFHVURJKSA-N	-2	2	322.256	0.997	1	0		DCAFLL
CCCCCC[S@@](=O)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000095582337	185380938	/nfs/dbraw/zinc/38/09/38/185380938.db2.gz	WCHKELVQXQOOHC-SFHVURJKSA-N	-2	2	322.256	0.997	1	0		DCAFLL
O=P([O-])(O)C(NCCc1ccc(O)cc1)[P@@](=O)([O-])O	ZINC000006535551	181351843	/nfs/dbraw/zinc/35/18/43/181351843.db2.gz	SQDIFGUZSZTPCW-UHFFFAOYSA-N	-2	2	311.167	0.163	1	0		DCAFLL
O=P([O-])(O)C(NCCc1ccc(O)cc1)[P@](=O)([O-])O	ZINC000006535551	181351846	/nfs/dbraw/zinc/35/18/46/181351846.db2.gz	SQDIFGUZSZTPCW-UHFFFAOYSA-N	-2	2	311.167	0.163	1	0		DCAFLL
O=P([O-])(O)C(O)(CSc1ccncc1)[P@@](=O)([O-])O	ZINC000005940951	181299569	/nfs/dbraw/zinc/29/95/69/181299569.db2.gz	WPUCYGNICODQKR-UHFFFAOYSA-N	-2	2	315.180	0.175	1	0		DCAFLL
O=P([O-])(O)C(O)(CSc1ccncc1)[P@](=O)([O-])O	ZINC000005940951	181299571	/nfs/dbraw/zinc/29/95/71/181299571.db2.gz	WPUCYGNICODQKR-UHFFFAOYSA-N	-2	2	315.180	0.175	1	0		DCAFLL
O=P([O-])(O)C(Nc1ccc(Cl)nc1)[P@](=O)([O-])O	ZINC000006536609	181351550	/nfs/dbraw/zinc/35/15/50/181351550.db2.gz	ABVNVACQTBSWKQ-UHFFFAOYSA-N	-2	2	302.547	0.786	1	0		DCAFLL
O=P([O-])(O)C(Nc1ccc(Cl)nc1)[P@@](=O)([O-])O	ZINC000006536609	181351553	/nfs/dbraw/zinc/35/15/53/181351553.db2.gz	ABVNVACQTBSWKQ-UHFFFAOYSA-N	-2	2	302.547	0.786	1	0		DCAFLL
CCCCCC[S@](=O)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000095582338	185381352	/nfs/dbraw/zinc/38/13/52/185381352.db2.gz	WCHKELVQXQOOHC-GOSISDBHSA-N	-2	2	322.256	0.997	1	0		DCAFLL
CCCCCC[S@](=O)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000095582338	185381353	/nfs/dbraw/zinc/38/13/53/185381353.db2.gz	WCHKELVQXQOOHC-GOSISDBHSA-N	-2	2	322.256	0.997	1	0		DCAFLL
CCCCC[S@](=O)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000095583011	185380915	/nfs/dbraw/zinc/38/09/15/185380915.db2.gz	QLKKAHMPXXNXEX-QGZVFWFLSA-N	-2	2	308.229	0.607	1	0		DCAFLL
CCCCC[S@](=O)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000095583011	185380916	/nfs/dbraw/zinc/38/09/16/185380916.db2.gz	QLKKAHMPXXNXEX-QGZVFWFLSA-N	-2	2	308.229	0.607	1	0		DCAFLL
O=P([O-])(O)C(O)([C@@H]1CCc2ccncc21)[P@@](=O)([O-])O	ZINC000016052517	182031029	/nfs/dbraw/zinc/03/10/29/182031029.db2.gz	WBALRBOBYFLYPZ-MRVPVSSYSA-N	-2	2	309.151	0.113	1	0	in-vitro	DCAFLL
O=P([O-])(O)C(O)([C@@H]1CCc2ccncc21)[P@](=O)([O-])O	ZINC000016052517	182031031	/nfs/dbraw/zinc/03/10/31/182031031.db2.gz	WBALRBOBYFLYPZ-MRVPVSSYSA-N	-2	2	309.151	0.113	1	0	in-vitro	DCAFLL
O=P([O-])(O)C(Cl)(Cc1cccnc1)[P@](=O)([O-])O	ZINC000028866124	581102167	/nfs/dbraw/zinc/10/21/67/581102167.db2.gz	ZOMKQPOHSLVTPF-UHFFFAOYSA-N	-4	2	301.559	0.872	1	0		DCAFLL
O=P([O-])(O)C(Cl)(Cc1cccnc1)[P@@](=O)([O-])O	ZINC000028866124	581102168	/nfs/dbraw/zinc/10/21/68/581102168.db2.gz	ZOMKQPOHSLVTPF-UHFFFAOYSA-N	-2	2	301.559	0.872	1	0		DCAFLL
O=P([O-])(O)C(Nc1cccnc1Cl)[P@](=O)([O-])O	ZINC000006525312	181349356	/nfs/dbraw/zinc/34/93/56/181349356.db2.gz	PPUKEDAGDUKXJE-UHFFFAOYSA-N	-2	2	302.547	0.786	1	0		DCAFLL
O=P([O-])(O)C(Nc1cccnc1Cl)[P@@](=O)([O-])O	ZINC000006525312	181349359	/nfs/dbraw/zinc/34/93/59/181349359.db2.gz	PPUKEDAGDUKXJE-UHFFFAOYSA-N	-2	2	302.547	0.786	1	0		DCAFLL
CCCCC[S@@](=O)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000095583010	185381150	/nfs/dbraw/zinc/38/11/50/185381150.db2.gz	QLKKAHMPXXNXEX-KRWDZBQOSA-N	-2	2	308.229	0.607	1	0		DCAFLL
CCCCC[S@@](=O)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000095583010	185381151	/nfs/dbraw/zinc/38/11/51/185381151.db2.gz	QLKKAHMPXXNXEX-KRWDZBQOSA-N	-2	2	308.229	0.607	1	0		DCAFLL
CCCCCS(=O)(=O)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000095585681	185381623	/nfs/dbraw/zinc/38/16/23/185381623.db2.gz	IOMAKMYJEOTXKE-UHFFFAOYSA-N	-2	2	324.228	0.273	1	0		DCAFLL
CCCCCS(=O)(=O)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000095585681	185381624	/nfs/dbraw/zinc/38/16/24/185381624.db2.gz	IOMAKMYJEOTXKE-UHFFFAOYSA-N	-2	2	324.228	0.273	1	0		DCAFLL