smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2C(=O)c2c(O)c(NCCCN(CCO)CCO)cc(O)c21	ZINC000005393058	557650573	/nfs/dbraw/zinc/65/05/73/557650573.db2.gz	PYKCJLACRZVGNR-UHFFFAOYSA-N	0	1	400.431	0.962	40	10	in-vivo	HCCBMN
Cn1c(N)c(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(=O)n(C)c1=O	ZINC000018182725	558832916	/nfs/dbraw/zinc/83/29/16/558832916.db2.gz	MNNMLRBRVKFNGX-QZQOTICOSA-N	0	1	416.423	0.672	40	10		HCCBMN
Cc1cccc2c1[nH]c(O)c(C=C1C(=O)N[C@@H](NN)N(c3ccccc3)C1=O)c2=O	ZINC000019168431	558847245	/nfs/dbraw/zinc/84/72/45/558847245.db2.gz	FGPNHTBMVCYSKJ-VPFXQZGESA-N	0	1	405.414	0.835	40	10		HCCBMN
Cc1cccc2c1[nH]c(O)c(C=C1C(=O)N[C@H](NN)N(c3ccccc3)C1=O)c2=O	ZINC000019168434	558847227	/nfs/dbraw/zinc/84/72/27/558847227.db2.gz	FGPNHTBMVCYSKJ-XISXUPMFSA-N	0	1	405.414	0.835	40	10		HCCBMN
NC(=O)C1(N2CCOCC2)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000019658373	558950352	/nfs/dbraw/zinc/95/03/52/558950352.db2.gz	ONWRBNWITHJCIM-UHFFFAOYSA-N	0	1	406.502	0.814	40	10		HCCBMN
CN1C(=O)C(=Cc2c(O)n(-c3ccccc3)c(=S)[nH]c2=O)C(=O)N(C)C1=S	ZINC000103855843	560734813	/nfs/dbraw/zinc/73/48/13/560734813.db2.gz	DVLNWJJKUHKMAP-SNVBAGLBSA-N	0	1	402.457	0.192	40	10		HCCBMN
CN1C(=O)C(=Cc2c(O)n(-c3ccccc3)c(=S)[nH]c2=O)C(=O)N(C)C1=S	ZINC000103855847	560734779	/nfs/dbraw/zinc/73/47/79/560734779.db2.gz	DVLNWJJKUHKMAP-JTQLQIEISA-N	0	1	402.457	0.192	40	10		HCCBMN
Cn1c(N)c(/N=N\c2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(=O)n(C)c1=O	ZINC000104090746	559157924	/nfs/dbraw/zinc/15/79/24/559157924.db2.gz	MNNMLRBRVKFNGX-MRCUWXFGSA-N	0	1	416.423	0.672	40	10		HCCBMN
CN(C(=O)c1cc(=O)n(-c2ccccc2)[n-]1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000257333498	568814244	/nfs/dbraw/zinc/81/42/44/568814244.db2.gz	YBUWAHLTEXMYCM-QWFCFKBJSA-N	0	1	400.479	0.852	40	10		HCCBMN
CCn1c2cc(NC=C3C(=O)NC(=O)N(C)C3=O)c([N+](=O)[O-])cc2n(CC)c1=O	ZINC000408526365	557287782	/nfs/dbraw/zinc/28/77/82/557287782.db2.gz	BEMAIAMMGCSCRZ-CMDGGOBGSA-N	0	1	402.367	0.755	40	10		HCCBMN
Cn1c2cc(Br)c(NC=C3C(=O)NC(=O)N(C)C3=O)cc2n(C)c1=O	ZINC000408537300	557338586	/nfs/dbraw/zinc/33/85/86/557338586.db2.gz	ZVWCHQQMPNYJMD-VOTSOKGWSA-N	0	1	408.212	0.644	40	10		HCCBMN
O=C(NCc1ccc(C=C2C(=O)NC(=O)NC2=O)o1)C(=O)Nc1cccc(Cl)c1	ZINC000409183824	560688832	/nfs/dbraw/zinc/68/88/32/560688832.db2.gz	TUCZLVSZBNLCJV-UHFFFAOYSA-N	0	1	416.777	0.937	40	10		HCCBMN
COc1ccc(N2CCC(O)(CN(CCO)[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1	ZINC000585282553	559120046	/nfs/dbraw/zinc/12/00/46/559120046.db2.gz	GRVYYZCMUCJRKQ-IBGZPJMESA-N	0	1	412.552	0.898	40	10		HCCBMN
COc1ccc(N2CCC(O)(CN(CCO)[C@]3(C)CCS(=O)(=O)C3)CC2)cc1	ZINC000585282554	559120183	/nfs/dbraw/zinc/12/01/83/559120183.db2.gz	GRVYYZCMUCJRKQ-LJQANCHMSA-N	0	1	412.552	0.898	40	10		HCCBMN