smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1NNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000003090896	351311875	/nfs/dbraw/zinc/31/18/75/351311875.db2.gz	HFICYZWZFYFTNZ-UHFFFAOYSA-N	-1	0	276.252	-0.138	40	10		CBCBRM
NC(=S)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000005749418	170136586	/nfs/dbraw/zinc/13/65/86/170136586.db2.gz	BLDHAFGSCVKARE-LURJTMIESA-N	-1	0	256.283	-0.073	40	10		CBCBRM
CN1C(=O)C(=CN2CCC[C@@H]2C(=O)[O-])C(=O)N(C)C1=O	ZINC000012173325	351332661	/nfs/dbraw/zinc/33/26/61/351332661.db2.gz	COAIMLNZJVCVSN-MRVPVSSYSA-N	-1	0	281.268	-0.530	40	10		CBCBRM
NC(=S)N[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000005749422	170136804	/nfs/dbraw/zinc/13/68/04/170136804.db2.gz	BLDHAFGSCVKARE-ZCFIWIBFSA-N	-1	0	256.283	-0.073	40	10		CBCBRM
Nc1nc2nc(N=NSCCO)[n-]c2c(=O)[nH]1	ZINC000017312810	351346301	/nfs/dbraw/zinc/34/63/01/351346301.db2.gz	BDJOZVYRTVFGBS-BUHFOSPRSA-N	-1	0	255.263	-0.047	40	10		CBCBRM
CCc1nnc(NC=C2C(=O)[N-]C(=O)NC2=O)s1	ZINC000006605225	170218338	/nfs/dbraw/zinc/21/83/38/170218338.db2.gz	PLQMCAJTUHRXDR-UHFFFAOYSA-N	-1	0	267.270	-0.238	40	10		CBCBRM
CN1C(=O)C(=CN2CCC[C@H]2C(=O)[O-])C(=O)N(C)C1=O	ZINC000012173330	351331956	/nfs/dbraw/zinc/33/19/56/351331956.db2.gz	COAIMLNZJVCVSN-QMMMGPOBSA-N	-1	0	281.268	-0.530	40	10		CBCBRM
NC(=O)COc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000409225090	353926770	/nfs/dbraw/zinc/92/67/70/353926770.db2.gz	ONSWCNRVTQOHPF-UHFFFAOYSA-N	-1	0	289.247	-0.700	40	10		CBCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1nn[nH]n1	ZINC000005603841	351323544	/nfs/dbraw/zinc/32/35/44/351323544.db2.gz	NCKSVFJFEPMPQU-VURMDHGXSA-N	-1	0	299.250	-0.222	40	10		CBCBRM
O=C([O-])c1ccc(C=C2C(=O)NC(=S)NC2=O)o1	ZINC000069593662	304239761	/nfs/dbraw/zinc/23/97/61/304239761.db2.gz	FBRPDBPZILLDCH-UHFFFAOYSA-N	-1	0	266.234	-0.108	40	10		CBCBRM
O=C(Cc1ccc(O)cc1)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000006495079	170207387	/nfs/dbraw/zinc/20/73/87/170207387.db2.gz	LHKHCMKBDRFWLC-UHFFFAOYSA-N	-1	0	289.247	-0.699	40	10		CBCBRM
NC(=O)COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000409225731	353927150	/nfs/dbraw/zinc/92/71/50/353927150.db2.gz	OJZYPXNJDZJIIK-UHFFFAOYSA-N	-1	0	289.247	-0.700	40	10		CBCBRM