smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCC[NH2+]c1ccc(Nc2ccccc2)cc1	ZINC000001608814	383913348	/nfs/dbraw/zinc/91/33/48/383913348.db2.gz	MTVKQSYQAYQKNZ-UHFFFAOYSA-N	1	2	237.306	3.756	40	30		BHEBLO
CCCC/[NH+]=C(\CC)c1ccc(C)cc1O	ZINC000005397616	342763369	/nfs/dbraw/zinc/76/33/69/342763369.db2.gz	RXJZXPSFVKFYJR-FYWRMAATSA-N	1	2	219.328	3.700	40	30		BHEBLO
CC/[NH+]=C1/CC(SC)=C1c1ccccc1	ZINC000005614175	384123149	/nfs/dbraw/zinc/12/31/49/384123149.db2.gz	IKQYXPDZQNYKGN-KAMYIIQDSA-N	1	2	217.337	3.625	40	30		BHEBLO
CC1(C)C=C/C(=[NH+]/c2ccccc2)S1	ZINC000006392799	384151612	/nfs/dbraw/zinc/15/16/12/384151612.db2.gz	UQTYZRBDKIDBLA-QBFSEMIESA-N	1	2	203.310	3.798	40	30		BHEBLO
C(/C=[NH+]/C1CCCCC1)=N\C1CCCCC1	ZINC000016137772	166226267	/nfs/dbraw/zinc/22/62/67/166226267.db2.gz	FNPXQPLDGZMBSL-JOBJLJCHSA-N	1	2	220.360	3.793	40	30		BHEBLO
CCCCN/C(=[NH+]\c1ccccc1)OCCCC	ZINC000016990154	384475470	/nfs/dbraw/zinc/47/54/70/384475470.db2.gz	QZGHOMGPALBBCW-UHFFFAOYSA-N	1	2	248.370	3.881	40	30		BHEBLO
CCCCN(CCCC)/C(Cl)=[NH+]/CCC	ZINC000017109398	168804989	/nfs/dbraw/zinc/80/49/89/168804989.db2.gz	DHAABGMWPISRCD-WYMLVPIESA-N	1	2	232.799	3.893	40	30		BHEBLO
C/C(=[NH+]\C1CCCCC1)c1ccccc1O	ZINC000100136615	191116996	/nfs/dbraw/zinc/11/69/96/191116996.db2.gz	ZCCKPCBSASQBNL-RVDMUPIBSA-N	1	2	217.312	3.534	40	30	in-vitro	BHEBLO
CCCCN(CCCC)/C(Cl)=[NH+]\CCC	ZINC000104204435	384812977	/nfs/dbraw/zinc/81/29/77/384812977.db2.gz	DHAABGMWPISRCD-OWBHPGMISA-N	1	2	232.799	3.893	40	30		BHEBLO
CCN1C=CC=C/C1=C\C=[NH+]c1ccccc1	ZINC000334157146	521543334	/nfs/dbraw/zinc/54/33/34/521543334.db2.gz	AZHZSFDQHQKYTG-XTZWMPCRSA-N	1	2	224.307	3.678	40	30		BHEBLO