smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CC(C)(C)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)C[NH+](CC)CC)cc1	ZINC000005759134	556064842	/nfs/dbraw/zinc/06/48/42/556064842.db2.gz	RHKBXWCHOOPPSM-XPWSMXQVSA-N	2	0	440.672	5.587	40	30		IKEBRP
CCCCOc1ccc(/C=[NH+]/CCCCCC/[NH+]=C/c2ccc(OCCCC)cc2)cc1	ZINC000012410700	520854443	/nfs/dbraw/zinc/85/44/43/520854443.db2.gz	YVCZIWWQPNEJPY-HCTXVGCHSA-N	2	0	436.640	7.143	40	30		IKEBRP
CC[NH+](CC)CC(C)(C)C(=O)/C=C/c1ccc(/C=C\C(=O)C(C)(C)C[NH+](CC)CC)cc1	ZINC000017174738	556671391	/nfs/dbraw/zinc/67/13/91/556671391.db2.gz	RHKBXWCHOOPPSM-YAFCTCPESA-N	2	0	440.672	5.587	40	30		IKEBRP
CCCCCCCC[NH+](CC)CCOCCOCC[N@@H+](CC)CCCCCCCC	ZINC000100925343	557278914	/nfs/dbraw/zinc/27/89/14/557278914.db2.gz	XGEWVZWMMSOGHU-UHFFFAOYSA-N	2	0	428.746	6.384	40	30		IKEBRP
CCN(CC)c1ccc(/C=[NH+]/CCCCCC/[NH+]=C/c2ccc(N(CC)CC)cc2)cc1	ZINC000017723373	520882405	/nfs/dbraw/zinc/88/24/05/520882405.db2.gz	MHRIRXOEWCHUGX-HCTXVGCHSA-N	2	0	434.672	6.477	40	30		IKEBRP
CCCCCCCCCCCCNC(=[NH2+])NC(=[NH2+])NCCCCCCCCCCCC	ZINC000068562381	520010521	/nfs/dbraw/zinc/01/05/21/520010521.db2.gz	AOJUFLXHLIRCBO-UHFFFAOYSA-N	2	0	437.761	7.467	40	30		IKEBRP
CCCCCCCCCC[N+](C)(C)CC(O)C[N+](C)(C)CCCCCCCCCC	ZINC000104205406	520026241	/nfs/dbraw/zinc/02/62/41/520026241.db2.gz	JVEMKGPWQCJVFZ-UHFFFAOYSA-N	2	0	428.790	6.782	40	30		IKEBRP
CCN(CC)c1ccc(/C=[NH+]/CCCCCC/[NH+]=C\c2ccc(N(CC)CC)cc2)cc1	ZINC000104063594	557319846	/nfs/dbraw/zinc/31/98/46/557319846.db2.gz	MHRIRXOEWCHUGX-UEUMJKGWSA-N	2	0	434.672	6.477	40	30		IKEBRP
CC[NH+](CC)CC(C)(C)C(=O)/C=C\c1ccc(/C=C\C(=O)C(C)(C)C[NH+](CC)CC)cc1	ZINC000017174736	556671388	/nfs/dbraw/zinc/67/13/88/556671388.db2.gz	RHKBXWCHOOPPSM-CLFAGFIQSA-N	2	0	440.672	5.587	40	30		IKEBRP
CCN(CC)c1ccc(/C=[NH+]\CCCCCC/[NH+]=C\c2ccc(N(CC)CC)cc2)cc1	ZINC000104063591	557319885	/nfs/dbraw/zinc/31/98/85/557319885.db2.gz	MHRIRXOEWCHUGX-HONQWNAWSA-N	2	0	434.672	6.477	40	30		IKEBRP
C=CCc1cc(-c2cc(CC=C)c(O)c(C[NH+](CC)CC)c2)cc(C[NH+](CC)CC)c1O	ZINC000004215006	562942713	/nfs/dbraw/zinc/94/27/13/562942713.db2.gz	DQNIWUUHJSXGHW-UHFFFAOYSA-N	2	0	436.640	5.905	40	30	in-man	IKEBRP