smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc(S(C)(=O)=O)cc4)c3[nH+]c12	ZINC000005846995	562935547	/nfs/dbraw/zinc/93/55/47/562935547.db2.gz	HOZOKKCWWYZOIS-UHFFFAOYSA-O	2	0	491.637	3.689	1	10		JHCFRP
C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013474322	562966735	/nfs/dbraw/zinc/96/67/35/562966735.db2.gz	RGYKPQLGQPKIEZ-UHFFFAOYSA-O	2	0	456.570	3.806	1	10		JHCFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCCCNc1c2ccccc2[nH+]c2ccccc21	ZINC000013522205	562971064	/nfs/dbraw/zinc/97/10/64/562971064.db2.gz	KNCKONHUCOKITH-UHFFFAOYSA-N	5	0	450.675	3.868	1	10		JHCFRP
C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCCC[NH3+])cc2)c2ccc(N)cc21	ZINC000026940426	563037785	/nfs/dbraw/zinc/03/77/85/563037785.db2.gz	DGWVHDYGZOFXJK-UHFFFAOYSA-O	2	0	450.588	3.624	1	10		JHCFRP
CC[NH+](CC)CCNc1ccc2c3c(nn2CC[NH+](CC)CC)-c2c(O)ccc(O)c2C(=O)c31	ZINC000001650608	562922378	/nfs/dbraw/zinc/92/23/78/562922378.db2.gz	YGXWCCIFNBCASG-UHFFFAOYSA-N	2	0	465.598	3.754	1	10		JHCFRP
CC[NH+](CC)CCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CC[NH+](CC)CC)cccc1C2=O	ZINC000004393910	562933318	/nfs/dbraw/zinc/93/33/18/562933318.db2.gz	DHHZSQSAPLVDAV-UHFFFAOYSA-N	2	0	492.620	3.803	1	10		JHCFRP
CC[NH+](CC)CCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CC[NH+](CC)CC)c1C2=O	ZINC000013556209	562973734	/nfs/dbraw/zinc/97/37/34/562973734.db2.gz	VJLWMFJSEUYNRS-UHFFFAOYSA-N	2	0	492.620	3.803	1	10	in-vitro	JHCFRP
CCCC[NH2+]CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH2+]CCCC)ccc1C2=O	ZINC000040936601	563158021	/nfs/dbraw/zinc/15/80/21/563158021.db2.gz	WKRXVGOZDDYFGG-UHFFFAOYSA-N	2	0	492.620	3.899	1	10	in-vivo	JHCFRP
[NH3+]CCC[NH2+]CCCC[N@H+](CCC[NH3+])CCCCNc1c2ccccc2[nH+]c2ccccc21	ZINC000027194613	563041154	/nfs/dbraw/zinc/04/11/54/563041154.db2.gz	NGPQQGJXDFHQRG-UHFFFAOYSA-N	5	0	450.675	3.950	1	10		JHCFRP
CC[NH+](CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+](CC)CC)ccc1C2=O	ZINC000013556232	562973749	/nfs/dbraw/zinc/97/37/49/562973749.db2.gz	UPPKLCJYYBGNGM-UHFFFAOYSA-N	2	0	492.620	3.803	1	10		JHCFRP
C[NH+](C)CCNC(=O)c1ccc2c(c1)[nH+]c1ccccc1c2NCCn1nnc2ccccc21	ZINC000045245275	563181627	/nfs/dbraw/zinc/18/16/27/563181627.db2.gz	ZTMLDUOGJFYWLS-UHFFFAOYSA-N	2	0	453.550	3.536	1	10		JHCFRP
C[N+](C)(C)c1ccc(CNC(=O)c2cc3c(cccc3O)n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000001490440	562920353	/nfs/dbraw/zinc/92/03/53/562920353.db2.gz	HLEHNBZUKIXNTN-UHFFFAOYSA-O	2	0	456.570	3.806	1	10		JHCFRP
CC[NH+](CC)CCC(=O)Nc1ccc(NC(=O)CC[NH+](CC)CC)c2c1C(=O)c1ccccc1C2=O	ZINC000013556198	562973717	/nfs/dbraw/zinc/97/37/17/562973717.db2.gz	JPSOGISUVUIHFC-UHFFFAOYSA-N	2	0	492.620	3.803	1	10		JHCFRP
[NH3+]Cc1ccc(N2CCC([NH2+]CC3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2)cc1	ZINC000034804660	563116379	/nfs/dbraw/zinc/11/63/79/563116379.db2.gz	GBFPPBZDBAFLLC-UHFFFAOYSA-N	2	0	492.689	3.958	1	10		JHCFRP
C[NH+](C)CCNC(=O)c1cccc2c(NCCn3nnc4ccccc43)c3ccccc3[nH+]c12	ZINC000045253750	563182281	/nfs/dbraw/zinc/18/22/81/563182281.db2.gz	MHEYGFWAUSTGAR-UHFFFAOYSA-N	2	0	453.550	3.536	1	10		JHCFRP
CC[NH+](CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[NH+](CC)CC)cc1C2=O	ZINC000005842034	562935511	/nfs/dbraw/zinc/93/55/11/562935511.db2.gz	LYHXLJHYOVPSQN-UHFFFAOYSA-N	2	0	492.620	3.803	1	10		JHCFRP
C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013474326	562966727	/nfs/dbraw/zinc/96/67/27/562966727.db2.gz	FIQJLSDRFMFUDU-UHFFFAOYSA-O	2	0	455.586	3.683	1	10		JHCFRP