smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCNc1cccc[nH+]1	ZINC000001726074	520012408	/nfs/dbraw/zinc/01/24/08/520012408.db2.gz	XCIVYFPIDWCXHK-UHFFFAOYSA-N	1	2	262.441	5.414	40	30		CKEBLO
C(=C\c1ccccc1)\C=[NH+]/c1ccc2c(c1)Cc1ccccc1-2	ZINC000008612416	170342553	/nfs/dbraw/zinc/34/25/53/170342553.db2.gz	KNNZYQMTSPFAGR-ZCCHZLDOSA-N	1	2	295.385	5.674	40	30	in-vitro	CKEBLO
C(/C=C\c1ccccc1)=[NH+]\c1ccc2c(c1)Cc1ccccc1-2	ZINC000013703862	567867272	/nfs/dbraw/zinc/86/72/72/567867272.db2.gz	KNNZYQMTSPFAGR-NPFPINIASA-N	1	2	295.385	5.674	40	30	in-vitro	CKEBLO
C(=C/c1ccccc1)\C=[NH+]/c1ccc2c(c1)Cc1ccccc1-2	ZINC000017147023	567874969	/nfs/dbraw/zinc/87/49/69/567874969.db2.gz	KNNZYQMTSPFAGR-ROPAZMDISA-N	1	2	295.385	5.674	40	30	in-vitro	CKEBLO
Cc1cc(O)c(C(C)C)cc1/[NH+]=C/C=C\c1ccccc1	ZINC000017287812	567875379	/nfs/dbraw/zinc/87/53/79/567875379.db2.gz	WGSOFWGAEOWGGL-HLLJFSTMSA-N	1	2	279.383	5.240	40	30		CKEBLO
Cc1cc(O)c(C(C)C)cc1/[NH+]=C/C=C/c1ccccc1	ZINC000017287816	567875286	/nfs/dbraw/zinc/87/52/86/567875286.db2.gz	WGSOFWGAEOWGGL-OZNFINNBSA-N	1	2	279.383	5.240	40	30		CKEBLO
C/C(=[NH+]\c1ccc(CSc2ccccc2)cc1)C(C)(C)C	ZINC000033620792	567095489	/nfs/dbraw/zinc/09/54/89/567095489.db2.gz	LRYTUHOJEYPJDG-HMMYKYKNSA-N	1	2	297.467	6.117	40	30		CKEBLO
CCCCCCCCCCCCCCn1cc[nH+]c1	ZINC000043300604	570350916	/nfs/dbraw/zinc/35/09/16/570350916.db2.gz	TZMGRMKTZVQDMX-UHFFFAOYSA-N	1	2	264.457	5.584	40	30		CKEBLO
CCCCCCCCCn1c2ccccc2[nH+]c1C(C)C	ZINC000050861298	520031030	/nfs/dbraw/zinc/03/10/30/520031030.db2.gz	RTPVFXJDNTTYCJ-UHFFFAOYSA-N	1	2	286.463	5.910	40	30		CKEBLO
CCCCCCCCn1c2ccccc2[nH+]c1C(C)C	ZINC000050861300	520051447	/nfs/dbraw/zinc/05/14/47/520051447.db2.gz	ZZLNICYMBAHYMW-UHFFFAOYSA-N	1	2	272.436	5.520	40	30		CKEBLO
CCCCCCCn1c2ccccc2[nH+]c1C(C)C	ZINC000050861301	520072990	/nfs/dbraw/zinc/07/29/90/520072990.db2.gz	SETYDRWZIRTYAZ-UHFFFAOYSA-N	1	2	258.409	5.130	40	30		CKEBLO
CCCCCCCCCCCc1[nH+]c2ccccc2n1C	ZINC000050861429	567893954	/nfs/dbraw/zinc/89/39/54/567893954.db2.gz	MFSDVXGXNSIRFF-UHFFFAOYSA-N	1	2	286.463	5.647	40	30		CKEBLO
CCCCCCCCCCCCCCCc1[nH]c(C)c[nH+]1	ZINC000095777098	327203176	/nfs/dbraw/zinc/20/31/76/327203176.db2.gz	DSBVJJNBNAAFBD-UHFFFAOYSA-N	1	2	292.511	6.352	40	30		CKEBLO
CCCCCCCCCc1ccc2ccc(C)[nH+]c2c1O	ZINC000100935863	567914319	/nfs/dbraw/zinc/91/43/19/567914319.db2.gz	RQFNGEBCDQJDQB-UHFFFAOYSA-N	1	2	285.431	5.542	40	30		CKEBLO
CCCCCCCCCCc1ccc2ccc(C)[nH+]c2c1O	ZINC000100935864	567914396	/nfs/dbraw/zinc/91/43/96/567914396.db2.gz	YFNHPTRYISNDKH-UHFFFAOYSA-N	1	2	299.458	5.932	40	30		CKEBLO
C(=N/c1c2ccccc2[nH+]c2ccccc21)\c1ccccc1	ZINC000101670285	570345115	/nfs/dbraw/zinc/34/51/15/570345115.db2.gz	WEAOAXVWUGWNIQ-KGENOOAVSA-N	1	2	282.346	5.139	40	30		CKEBLO
Cc1cc(O)c(C(C)C)cc1/[NH+]=C\C=C/c1ccccc1	ZINC000104343210	185976658	/nfs/dbraw/zinc/97/66/58/185976658.db2.gz	WGSOFWGAEOWGGL-LIZKKHSFSA-N	1	2	279.383	5.240	40	30		CKEBLO
Cc1cc(O)c(C(C)C)cc1/[NH+]=C\C=C\c1ccccc1	ZINC000104343218	567916855	/nfs/dbraw/zinc/91/68/55/567916855.db2.gz	WGSOFWGAEOWGGL-VTGAJVDQSA-N	1	2	279.383	5.240	40	30		CKEBLO