smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc2oc(C(=O)NCCC(=O)NC[C@H](N)C(=O)[O-])cc2c1	ZINC000013776198	211058595	/nfs/dbraw/zinc/05/85/95/211058595.db2.gz	GSXMSJLWHWFBNR-JTQLQIEISA-N	0	3	361.358	-0.635	1	0		FBAFHN
O=S(=O)(NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O)c1cccc2ccccc21	ZINC000026010647	581102202	/nfs/dbraw/zinc/10/22/02/581102202.db2.gz	FYXOYENTWNJLGI-XOUADPBQSA-N	0	3	352.412	-0.827	1	0		FBAFHN
O=S(=O)(NC[C@H]1N[C@H](CO)[C@H](O)[C@H]1O)c1cccc2ccccc21	ZINC000026010655	581102174	/nfs/dbraw/zinc/10/21/74/581102174.db2.gz	FYXOYENTWNJLGI-VDERGJSUSA-N	0	3	352.412	-0.827	1	0		FBAFHN
CC(=O)NC[C@@H]1CC(c2ccc(N3CCN(C(=O)CO)CC3)cc2)=NO1	ZINC000026820594	136153317	/nfs/dbraw/zinc/15/33/17/136153317.db2.gz	AWIPPEDSKGOSFN-INIZCTEOSA-N	0	3	360.414	-0.043	1	0		FBAFHN
CC(=O)NC[C@H]1CC(c2ccc(N3CCN(C(=O)CO)CC3)cc2)=NO1	ZINC000026820599	136153354	/nfs/dbraw/zinc/15/33/54/136153354.db2.gz	AWIPPEDSKGOSFN-MRXNPFEDSA-N	0	3	360.414	-0.043	1	0		FBAFHN
CC(C)[C@H]1C(=O)O[C@@H]2CCN3C[C@@H](O)[C@H](COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000033830367	291021934	/nfs/dbraw/zinc/02/19/34/291021934.db2.gz	CYVCLVKKOTUWRC-BDKBQDCFSA-N	0	3	371.430	-0.706	1	0	biogenic,in-vitro	FBAFHN
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000039831030	205047454	/nfs/dbraw/zinc/04/74/54/205047454.db2.gz	ALEVUGKHINJNIF-QEJZJMRPSA-N	0	3	364.446	-0.241	1	0		FBAFHN
CCC[NH2+][C@@H]1C[C@H]2c3cc4c(c([O-])c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4	ZINC000040915333	205085697	/nfs/dbraw/zinc/08/56/97/205085697.db2.gz	KLOYXGIFOGMZNV-KLDWPMRUSA-N	0	3	350.371	-0.190	1	0		FBAFHN
Nc1nc(N)c2nc(CNCCc3ccc(S(N)(=O)=O)cc3)cnc2n1	ZINC000064428868	205296879	/nfs/dbraw/zinc/29/68/79/205296879.db2.gz	WCRHQBWCHFXCQJ-UHFFFAOYSA-N	0	3	374.430	-0.436	1	0		FBAFHN
NCC(=O)N1CCN(c2ccncc2NC(=O)c2nccnc2N)CC1	ZINC000103237655	132237307	/nfs/dbraw/zinc/23/73/07/132237307.db2.gz	PKIUWBSGVDRYIK-UHFFFAOYSA-N	0	3	356.390	-0.687	1	0		FBAFHN
N[C@@H](CCCC[NH3+])c1cn([C@@H](CCC(=O)[O-])C(=O)N2CCNCC2)nn1	ZINC000036386743	205013273	/nfs/dbraw/zinc/01/32/73/205013273.db2.gz	OODKKERUMDHHBO-JSGCOSHPSA-N	0	3	367.454	-0.755	3	0		FBAFHN