smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N(CC[NH+]2CCN(CCCc3ccccc3)CC2)Cc2ccccc2)cc1	ZINC000022925649	563025941	/nfs/dbraw/zinc/02/59/41/563025941.db2.gz	HDPHOPOIGUJUKC-UHFFFAOYSA-N	1	2	443.635	4.952	1	10		IJCFLO
Oc1c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2cccnc12	ZINC000053184576	563141129	/nfs/dbraw/zinc/14/11/29/563141129.db2.gz	SUQDEEBXXYOUST-UHFFFAOYSA-N	1	2	432.749	4.679	1	10		IJCFLO
COc1ccc(N2CC[NH+](Cc3csc(N)c3C(=O)c3ccc(Cl)cc3)CC2)cc1	ZINC000073219570	563170423	/nfs/dbraw/zinc/17/04/23/563170423.db2.gz	CTRYPUGODHJJOD-UHFFFAOYSA-N	1	2	441.984	4.546	1	10		IJCFLO
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(F)cc2[nH+]c2c(OC)cccc12	ZINC000029470341	563080664	/nfs/dbraw/zinc/08/06/64/563080664.db2.gz	SJTRXOSZSGTLPH-UHFFFAOYSA-N	1	2	440.500	4.693	1	10		IJCFLO
Cc1cc(N(C)CCO)[nH+]c2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12	ZINC000013671993	562999972	/nfs/dbraw/zinc/99/99/72/562999972.db2.gz	WTOMXQPJJMYNRR-BJMVGYQFSA-N	1	2	445.441	4.522	1	10		IJCFLO
Nc1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cn2)cc1	ZINC000026842135	563037525	/nfs/dbraw/zinc/03/75/25/563037525.db2.gz	VGKVVTZRZJGXMQ-UHFFFAOYSA-N	1	2	441.516	4.910	1	10		IJCFLO
O=C1c2ccccc2C(=O)c2c3nc(-c4ccc(OCCCn5cc[nH+]c5)cc4)[nH]c3ccc21	ZINC000028643754	563060626	/nfs/dbraw/zinc/06/06/26/563060626.db2.gz	AULJAGKSIXDGBY-UHFFFAOYSA-N	1	2	448.482	4.671	1	10		IJCFLO
Oc1ccc2nc(-c3ccc(F)cc3F)[nH]c2c1C[NH+]1CCC(O)(c2ccccc2)CC1	ZINC000045188874	563123136	/nfs/dbraw/zinc/12/31/36/563123136.db2.gz	DSPPYUNBUZMQQS-UHFFFAOYSA-N	1	2	435.474	4.697	1	10		IJCFLO