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)(Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1)P(=O)([O-])[O-]	ZINC000005496659	557658038	/nfs/dbraw/zinc/65/80/38/557658038.db2.gz	RAPOFIDCKFEVMG-POYYFJLXSA-N	-2	1	405.304	-1.531	40	0		HAABML
CC(C)(Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1)P(=O)([O-])[O-]	ZINC000005496661	557658011	/nfs/dbraw/zinc/65/80/11/557658011.db2.gz	RAPOFIDCKFEVMG-TXRROPDSSA-N	-2	1	405.304	-1.531	40	0		HAABML
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000008585026	557795767	/nfs/dbraw/zinc/79/57/67/557795767.db2.gz	XCCTYIAWTASOJW-IHBLQFBFSA-N	-2	1	404.161	-2.618	40	0		HAABML
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000008585026	557795764	/nfs/dbraw/zinc/79/57/64/557795764.db2.gz	XCCTYIAWTASOJW-IHBLQFBFSA-N	-2	1	404.161	-2.618	40	0		HAABML
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000008585028	569052034	/nfs/dbraw/zinc/05/20/34/569052034.db2.gz	XCCTYIAWTASOJW-MLQRGLMKSA-N	-2	1	404.161	-2.618	40	0		HAABML
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000008585028	569052033	/nfs/dbraw/zinc/05/20/33/569052033.db2.gz	XCCTYIAWTASOJW-MLQRGLMKSA-N	-2	1	404.161	-2.618	40	0		HAABML
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000008585030	569052031	/nfs/dbraw/zinc/05/20/31/569052031.db2.gz	XCCTYIAWTASOJW-UCVXFZOQSA-N	-2	1	404.161	-2.618	40	0		HAABML
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000008585030	569052030	/nfs/dbraw/zinc/05/20/30/569052030.db2.gz	XCCTYIAWTASOJW-UCVXFZOQSA-N	-2	1	404.161	-2.618	40	0		HAABML
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000008585032	557795834	/nfs/dbraw/zinc/79/58/34/557795834.db2.gz	XCCTYIAWTASOJW-VXUIKNBNSA-N	-2	1	404.161	-2.618	40	0		HAABML
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000008585032	557795832	/nfs/dbraw/zinc/79/58/32/557795832.db2.gz	XCCTYIAWTASOJW-VXUIKNBNSA-N	-2	1	404.161	-2.618	40	0		HAABML
Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000012504412	558423721	/nfs/dbraw/zinc/42/37/21/558423721.db2.gz	ZWIADYZPOWUWEW-VXUIKNBNSA-N	-2	1	403.177	-2.329	40	0		HAABML
Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000012504412	558423718	/nfs/dbraw/zinc/42/37/18/558423718.db2.gz	ZWIADYZPOWUWEW-VXUIKNBNSA-N	-2	1	403.177	-2.329	40	0		HAABML
Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000012504413	558423794	/nfs/dbraw/zinc/42/37/94/558423794.db2.gz	ZWIADYZPOWUWEW-UCVXFZOQSA-N	-2	1	403.177	-2.329	40	0		HAABML
Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000012504413	558423792	/nfs/dbraw/zinc/42/37/92/558423792.db2.gz	ZWIADYZPOWUWEW-UCVXFZOQSA-N	-2	1	403.177	-2.329	40	0		HAABML
Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000013431045	558532854	/nfs/dbraw/zinc/53/28/54/558532854.db2.gz	ZWIADYZPOWUWEW-IHBLQFBFSA-N	-2	1	403.177	-2.329	40	0		HAABML
Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000013431045	558532852	/nfs/dbraw/zinc/53/28/52/558532852.db2.gz	ZWIADYZPOWUWEW-IHBLQFBFSA-N	-2	1	403.177	-2.329	40	0		HAABML
Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000013431047	558532884	/nfs/dbraw/zinc/53/28/84/558532884.db2.gz	ZWIADYZPOWUWEW-MLQRGLMKSA-N	-2	1	403.177	-2.329	40	0		HAABML
Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000013431047	558532882	/nfs/dbraw/zinc/53/28/82/558532882.db2.gz	ZWIADYZPOWUWEW-MLQRGLMKSA-N	-2	1	403.177	-2.329	40	0		HAABML
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000013518650	558536277	/nfs/dbraw/zinc/53/62/77/558536277.db2.gz	CYDYNVMCEGXBEM-JXOAFFINSA-N	-2	1	418.188	-2.309	40	0	in-vitro	HAABML
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000013518650	558536271	/nfs/dbraw/zinc/53/62/71/558536271.db2.gz	CYDYNVMCEGXBEM-JXOAFFINSA-N	-2	1	418.188	-2.309	40	0	in-vitro	HAABML
O=C([O-])CC[C@@H](NC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)[O-]	ZINC000022942269	558527633	/nfs/dbraw/zinc/52/76/33/558527633.db2.gz	SWFBKZGWDVKESR-SECBINFHSA-N	-4	1	421.359	-2.722	40	0		HAABML
O=C([O-])CC[C@H](NC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)[O-]	ZINC000022942272	558527715	/nfs/dbraw/zinc/52/77/15/558527715.db2.gz	SWFBKZGWDVKESR-VIFPVBQESA-N	-4	1	421.359	-2.722	40	0		HAABML
NC(=O)[C@@H](CC(=O)[O-])NC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000022942292	558527672	/nfs/dbraw/zinc/52/76/72/558527672.db2.gz	VUVCQQJJLXUYOW-MRVPVSSYSA-N	-3	1	406.348	-3.711	40	0		HAABML
NC(=O)[C@H](CC(=O)[O-])NC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000022942296	558527800	/nfs/dbraw/zinc/52/78/00/558527800.db2.gz	VUVCQQJJLXUYOW-QMMMGPOBSA-N	-3	1	406.348	-3.711	40	0		HAABML
CC(C)(Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1)P(=O)([O-])[O-]	ZINC000031960561	519331033	/nfs/dbraw/zinc/33/10/33/519331033.db2.gz	RAPOFIDCKFEVMG-IZCITBFLSA-N	-2	1	405.304	-1.943	40	0		HAABML
CC(C)(Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1)P(=O)([O-])[O-]	ZINC000031960564	519329980	/nfs/dbraw/zinc/32/99/80/519329980.db2.gz	RAPOFIDCKFEVMG-YRCUVVFSSA-N	-2	1	405.304	-1.943	40	0		HAABML
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000033979243	560553732	/nfs/dbraw/zinc/55/37/32/560553732.db2.gz	UJLXYODCHAELLY-FXQIFTODSA-N	-2	1	402.189	-1.280	40	0		HAABML
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000033979243	560553731	/nfs/dbraw/zinc/55/37/31/560553731.db2.gz	UJLXYODCHAELLY-FXQIFTODSA-N	-2	1	402.189	-1.280	40	0		HAABML
Cc1cn([C@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000033979244	558772564	/nfs/dbraw/zinc/77/25/64/558772564.db2.gz	UJLXYODCHAELLY-BIIVOSGPSA-N	-2	1	402.189	-1.280	40	0		HAABML
Cc1cn([C@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000033979244	558772561	/nfs/dbraw/zinc/77/25/61/558772561.db2.gz	UJLXYODCHAELLY-BIIVOSGPSA-N	-2	1	402.189	-1.280	40	0		HAABML
Cc1cn([C@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000033979246	558772585	/nfs/dbraw/zinc/77/25/85/558772585.db2.gz	UJLXYODCHAELLY-GJMOJQLCSA-N	-2	1	402.189	-1.280	40	0	in-vivo	HAABML
Cc1cn([C@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000033979246	558772584	/nfs/dbraw/zinc/77/25/84/558772584.db2.gz	UJLXYODCHAELLY-GJMOJQLCSA-N	-2	1	402.189	-1.280	40	0	in-vivo	HAABML
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000035636069	569046735	/nfs/dbraw/zinc/04/67/35/569046735.db2.gz	XCCTYIAWTASOJW-CCXZUQQUSA-N	-2	1	404.161	-2.618	40	0	in-vitro	HAABML
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000035636069	569046734	/nfs/dbraw/zinc/04/67/34/569046734.db2.gz	XCCTYIAWTASOJW-CCXZUQQUSA-N	-2	1	404.161	-2.618	40	0	in-vitro	HAABML
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000044460318	569061533	/nfs/dbraw/zinc/06/15/33/569061533.db2.gz	XCCTYIAWTASOJW-PSQAKQOGSA-N	-2	1	404.161	-2.618	40	0		HAABML
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000044460318	569061532	/nfs/dbraw/zinc/06/15/32/569061532.db2.gz	XCCTYIAWTASOJW-PSQAKQOGSA-N	-2	1	404.161	-2.618	40	0		HAABML
Nc1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000096030950	1072788186	/nfs/dbraw/zinc/78/81/86/1072788186.db2.gz	RQKDGRDHJHINET-KVTDHHQDSA-N	-2	1	404.165	-2.934	40	0		HAABML
Nc1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000096030950	1072788177	/nfs/dbraw/zinc/78/81/77/1072788177.db2.gz	RQKDGRDHJHINET-KVTDHHQDSA-N	-2	1	404.165	-2.934	40	0		HAABML
Nc1ccn([C@@H]2O[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000584577031	569048637	/nfs/dbraw/zinc/04/86/37/569048637.db2.gz	ZWIADYZPOWUWEW-YDLFOAGRSA-N	-2	1	403.177	-2.086	40	0		HAABML
Nc1ccn([C@@H]2O[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000584577031	569048636	/nfs/dbraw/zinc/04/86/36/569048636.db2.gz	ZWIADYZPOWUWEW-YDLFOAGRSA-N	-2	1	403.177	-2.086	40	0		HAABML
C[C@@H]1CN([C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])O[P@](=O)([O-])O)O2)C(=O)NC1=O	ZINC000584578739	569048711	/nfs/dbraw/zinc/04/87/11/569048711.db2.gz	SIKVLMWAORJMQJ-NGJRWZKOSA-N	-2	1	404.205	-1.124	40	0		HAABML
C[C@@H]1CN([C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])O[P@@](=O)([O-])O)O2)C(=O)NC1=O	ZINC000584578739	569048710	/nfs/dbraw/zinc/04/87/10/569048710.db2.gz	SIKVLMWAORJMQJ-NGJRWZKOSA-N	-2	1	404.205	-1.124	40	0		HAABML
C[C@@H]1CN([C@@H]2C[C@@H](O)[C@H](CO[P@](=O)([O-])OP(=O)([O-])O)O2)C(=O)NC1=O	ZINC000584578739	569048709	/nfs/dbraw/zinc/04/87/09/569048709.db2.gz	SIKVLMWAORJMQJ-NGJRWZKOSA-N	-2	1	404.205	-1.124	40	0		HAABML
C[C@@H]1CN([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])OP(=O)([O-])O)O2)C(=O)NC1=O	ZINC000584578739	569048708	/nfs/dbraw/zinc/04/87/08/569048708.db2.gz	SIKVLMWAORJMQJ-NGJRWZKOSA-N	-2	1	404.205	-1.124	40	0		HAABML
C[C@@H]1CN([C@@H]2C[C@@H](O)[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])O2)C(=O)NC1=O	ZINC000584578739	569048707	/nfs/dbraw/zinc/04/87/07/569048707.db2.gz	SIKVLMWAORJMQJ-NGJRWZKOSA-N	-2	1	404.205	-1.124	40	0		HAABML
C[C@H]1CN([C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])O[P@](=O)([O-])O)O2)C(=O)NC1=O	ZINC000584578740	569048697	/nfs/dbraw/zinc/04/86/97/569048697.db2.gz	SIKVLMWAORJMQJ-YWIQKCBGSA-N	-2	1	404.205	-1.124	40	0		HAABML
C[C@H]1CN([C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])O[P@@](=O)([O-])O)O2)C(=O)NC1=O	ZINC000584578740	569048696	/nfs/dbraw/zinc/04/86/96/569048696.db2.gz	SIKVLMWAORJMQJ-YWIQKCBGSA-N	-2	1	404.205	-1.124	40	0		HAABML
C[C@H]1CN([C@@H]2C[C@@H](O)[C@H](CO[P@](=O)([O-])OP(=O)([O-])O)O2)C(=O)NC1=O	ZINC000584578740	569048695	/nfs/dbraw/zinc/04/86/95/569048695.db2.gz	SIKVLMWAORJMQJ-YWIQKCBGSA-N	-2	1	404.205	-1.124	40	0		HAABML
C[C@H]1CN([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])OP(=O)([O-])O)O2)C(=O)NC1=O	ZINC000584578740	569048694	/nfs/dbraw/zinc/04/86/94/569048694.db2.gz	SIKVLMWAORJMQJ-YWIQKCBGSA-N	-2	1	404.205	-1.124	40	0		HAABML
C[C@H]1CN([C@@H]2C[C@@H](O)[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])O2)C(=O)NC1=O	ZINC000584578740	569048693	/nfs/dbraw/zinc/04/86/93/569048693.db2.gz	SIKVLMWAORJMQJ-YWIQKCBGSA-N	-2	1	404.205	-1.124	40	0		HAABML