smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(C=NNC(N)=[NH2+])cn(S(=O)(=O)c3ccccc3)c2c1	ZINC000064559742	205300445	/nfs/dbraw/zinc/30/04/45/205300445.db2.gz	FLVAEJOPNBXRFZ-KEBDBYFISA-N	1	2	355.423	2.004	1	30		FEEFLO
Cc1ccc(S(=O)(=O)n2cc(C=NNC(N)=[NH2+])c3ccccc32)cc1	ZINC000064560622	212040989	/nfs/dbraw/zinc/04/09/89/212040989.db2.gz	VTAFRMCOOSLTMG-KEBDBYFISA-N	1	2	355.423	2.004	1	30		FEEFLO
CC(=NNC(N)=[NH2+])c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12	ZINC000064560163	212040898	/nfs/dbraw/zinc/04/08/98/212040898.db2.gz	MCWHXUCNCJAOOA-FYJGNVAPSA-N	1	2	369.450	2.394	1	30		FEEFLO
Cc1ccc(S(=O)(=O)n2cc(C=NNC(N)=[NH2+])c3c2cccc3C)cc1	ZINC000064549252	212038552	/nfs/dbraw/zinc/03/85/52/212038552.db2.gz	JVPPUSJFGJQBOO-UFFVCSGVSA-N	1	2	369.450	2.312	1	30		FEEFLO
Cc1ccc(S(=O)(=O)n2cc(C=NNC(N)=[NH2+])c3ccc(C)cc32)cc1	ZINC000064559744	221148670	/nfs/dbraw/zinc/14/86/70/221148670.db2.gz	XCXWOXUBSWGYCV-UFFVCSGVSA-N	1	2	369.450	2.312	1	30		FEEFLO
C=CCNC(=O)[C@@H](C(C)C)N(CCCn1cc[nH+]c1)C(=O)c1cccnc1	ZINC000028953008	206752992	/nfs/dbraw/zinc/75/29/92/206752992.db2.gz	GMFNLSKTGRKGST-GOSISDBHSA-N	1	2	369.469	2.137	1	30		FEEFLO
O=C(C#Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000043058956	210047397	/nfs/dbraw/zinc/04/73/97/210047397.db2.gz	RMVKIUJGAKDMQN-UHFFFAOYSA-N	1	2	367.380	2.430	1	30		FEEFLO
CC(=NNC(N)=[NH2+])c1cn(S(=O)(=O)c2ccccc2)c2cccc(C)c12	ZINC000064559507	212040194	/nfs/dbraw/zinc/04/01/94/212040194.db2.gz	OKUVJTKKDCXNAT-FYJGNVAPSA-N	1	2	369.450	2.394	1	30		FEEFLO
N#C/C(C(N)=O)=c1\ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@]31[NH+]=2	ZINC000013116315	211023977	/nfs/dbraw/zinc/02/39/77/211023977.db2.gz	OHWJDSSZXTZAES-PAVGYVTISA-N	1	2	360.461	2.404	1	30		FEEFLO
COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(N)=[NH2+])cc1OC	ZINC000006373170	210670103	/nfs/dbraw/zinc/67/01/03/210670103.db2.gz	UAJVAORBEDZLAX-SSDVNMTOSA-N	1	2	364.409	2.164	3	30		FEEFLO
O=C1c2ccc(C#Cc3ccccc3)cc2CCN1CC[NH+]1CCOCC1	ZINC000066073826	210102590	/nfs/dbraw/zinc/10/25/90/210102590.db2.gz	IMRFBYOXNLNSCH-UHFFFAOYSA-N	1	2	360.457	2.417	1	30		FEEFLO
Cc1cccc2c1c(C=NNC(N)=[NH2+])cn2S(=O)(=O)c1ccccc1	ZINC000064559066	212040319	/nfs/dbraw/zinc/04/03/19/212040319.db2.gz	KYJJINPOLMJGMP-KEBDBYFISA-N	1	2	355.423	2.004	1	30		FEEFLO
CN(C)C(=O)CO/[NH+]=C1\c2ccccc2N\C1=C1\c2ccccc2NC1=O	ZINC000102921384	222313957	/nfs/dbraw/zinc/31/39/57/222313957.db2.gz	CXQWIBJXWQIZCH-LCLDVOFVSA-N	1	2	362.389	2.284	1	30		FEEFLO