smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000002898447	219474520	/nfs/dbraw/zinc/47/45/20/219474520.db2.gz	JPGKCYRTZZYQFY-UHFFFAOYSA-N	0	2	360.373	-1.180	50	0		FAAALN
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000004214908	482802877	/nfs/dbraw/zinc/80/28/77/482802877.db2.gz	QQOBRRFOVWGIMD-OJAKKHQRSA-N	0	2	371.302	-1.745	50	0	in-man	FAAALN
Cc1cc(O)c(C2(O)C(=O)NC(=O)NC2=O)c(=O)n1Cc1cccnc1	ZINC000009419689	204366867	/nfs/dbraw/zinc/36/68/67/204366867.db2.gz	NXHREYUDHMFQFT-UHFFFAOYSA-N	0	2	358.310	-1.141	50	0		FAAALN
CC(=O)O[C@@H]1CO[C@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000012660923	206293471	/nfs/dbraw/zinc/29/34/71/206293471.db2.gz	RWXMBOHMNHIISC-XEZLXBQYSA-N	0	2	371.302	-1.745	50	0		FAAALN
CN(CC(=O)OCC(=O)N1CCN(S(C)(=O)=O)CC1)c1ncccn1	ZINC000023199618	211380506	/nfs/dbraw/zinc/38/05/06/211380506.db2.gz	IAEYRWUKSPILBC-UHFFFAOYSA-N	0	2	371.419	-1.440	50	0		FAAALN
CC(=O)O[C@@H]1CO[C@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000035882819	483341189	/nfs/dbraw/zinc/34/11/89/483341189.db2.gz	RWXMBOHMNHIISC-JHEVNIALSA-N	0	2	371.302	-1.745	50	0		FAAALN
O=C(C[C@H]1C(=O)NCCN1Cc1ccccn1)NCCc1n[nH]c(=O)[nH]1	ZINC000072157739	571175346	/nfs/dbraw/zinc/17/53/46/571175346.db2.gz	ZWEFCHSJWFUWTQ-LBPRGKRZSA-N	0	2	359.390	-1.458	50	0		FAAALN
O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)NCCc1n[nH]c(=O)[nH]1	ZINC000072157741	571175399	/nfs/dbraw/zinc/17/53/99/571175399.db2.gz	ZWEFCHSJWFUWTQ-GFCCVEGCSA-N	0	2	359.390	-1.458	50	0		FAAALN
O=C(Cn1nnnc1CN1CCc2ccccc2C1)NCc1n[nH]c(=O)[nH]1	ZINC000095517236	482647422	/nfs/dbraw/zinc/64/74/22/482647422.db2.gz	VXLJXENVYBVKCJ-UHFFFAOYSA-N	0	2	369.389	-1.041	50	0		FAAALN
CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3nc4ncccn4n3)C[C@@]2(C(=O)[O-])C1	ZINC000096163552	209128986	/nfs/dbraw/zinc/12/89/86/209128986.db2.gz	UAXWHIQFNQZUHR-QMTHXVAHSA-N	0	2	366.403	-1.098	50	0		FAAALN
CS(=O)(=O)N1C[C@H]2C[N@H+](Cc3nc4ncccn4n3)C[C@@]2(C(=O)[O-])C1	ZINC000096163552	209128984	/nfs/dbraw/zinc/12/89/84/209128984.db2.gz	UAXWHIQFNQZUHR-QMTHXVAHSA-N	0	2	366.403	-1.098	50	0		FAAALN
CC(=O)O[C@@H]1CO[C@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000102808678	206230753	/nfs/dbraw/zinc/23/07/53/206230753.db2.gz	RWXMBOHMNHIISC-MGAJPHDKSA-N	0	2	371.302	-1.745	50	0		FAAALN
CC(=O)O[C@@H]1CO[C@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000102808679	206230870	/nfs/dbraw/zinc/23/08/70/206230870.db2.gz	RWXMBOHMNHIISC-IXOXFDKPSA-N	0	2	371.302	-1.745	50	0		FAAALN