smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c2cc(OC)ccc2c2cc[nH+]c(C)c21	ZINC000005847941	172149207	/nfs/dbraw/zinc/14/92/07/172149207.db2.gz	IPKUPGYEVPMEEL-UHFFFAOYSA-N	1	2	240.306	3.526	1	0	in-vitro	BHAFLO
Cc1[nH+]ccc2c3ccc(OC(C)C)cc3[nH]c21	ZINC000006520696	180209165	/nfs/dbraw/zinc/20/91/65/180209165.db2.gz	CWBJMZBYDJPZBA-UHFFFAOYSA-N	1	2	240.306	3.812	1	0		BHAFLO
Cc1cc2[nH]c(/C=C/c3ccncc3)[nH+]c2cc1C	ZINC000007089625	178299980	/nfs/dbraw/zinc/29/99/80/178299980.db2.gz	CGMBCKVCCZLKQT-ONEGZZNKSA-N	1	2	249.317	3.745	1	0		BHAFLO
c1ccc2[nH+]c(N3CCCc4ccccc43)[nH]c2c1	ZINC000010382557	132319501	/nfs/dbraw/zinc/31/95/01/132319501.db2.gz	VUYWTRRXYXIDQP-UHFFFAOYSA-N	1	2	249.317	3.647	1	0		BHAFLO
CCCc1[nH+]ccc2c3ccc(F)cc3[nH]c21	ZINC000013587079	187251161	/nfs/dbraw/zinc/25/11/61/187251161.db2.gz	SHCOSZPBCDYJCX-UHFFFAOYSA-N	1	2	228.270	3.808	1	0		BHAFLO
CC[NH2+]c1c(C)c2c(c(C)c1C)OC(C)(C)C2	ZINC000013652148	170170610	/nfs/dbraw/zinc/17/06/10/170170610.db2.gz	OLMZSAXQYVJLLR-UHFFFAOYSA-N	1	2	233.355	3.757	1	0		BHAFLO
Cc1ccc2c([nH+]1)C[C@@H]1CC[C@@]2(C)C1(C)C	ZINC000014637911	560223414	/nfs/dbraw/zinc/22/34/14/560223414.db2.gz	BGCPDKKBYLHBFS-XHDPSFHLSA-N	1	2	215.340	3.640	1	0	biogenic,in-vitro	BHAFLO
Cc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1C	ZINC000027999353	188466006	/nfs/dbraw/zinc/46/60/06/188466006.db2.gz	MYWFXZFJGXDAFG-UHFFFAOYSA-N	1	2	236.318	3.771	1	0		BHAFLO
Cc1[nH+]cc(C(F)F)n1-c1ccc(Cl)cc1	ZINC000028962775	180135631	/nfs/dbraw/zinc/13/56/31/180135631.db2.gz	BLGPFLFJGMZWIP-UHFFFAOYSA-N	1	2	242.656	3.772	1	0		BHAFLO
c1cn(Cc2cc(-c3ccccc3)cs2)c[nH+]1	ZINC000029130363	183381633	/nfs/dbraw/zinc/38/16/33/183381633.db2.gz	LOGYRTOPJWOZEE-UHFFFAOYSA-N	1	2	240.331	3.660	1	0		BHAFLO
CC(C)c1ccc([NH+]2CCCCC2)cc1	ZINC000033646768	132336196	/nfs/dbraw/zinc/33/61/96/132336196.db2.gz	SGZIDRGWNJDHRL-UHFFFAOYSA-N	1	2	203.329	3.800	1	0		BHAFLO
c1cc2[nH+]c(c1)CCCCCCCCC2	ZINC000033833072	290791906	/nfs/dbraw/zinc/79/19/06/290791906.db2.gz	QBGSZFGDIXJTOI-UHFFFAOYSA-N	1	2	203.329	3.911	1	0	biogenic,in-vitro	BHAFLO
c1cn(CCc2ccc(-c3ccccc3)cc2)c[nH+]1	ZINC000034397901	183379242	/nfs/dbraw/zinc/37/92/42/183379242.db2.gz	QZJTUWIULUGRHL-UHFFFAOYSA-N	1	2	248.329	3.793	1	0		BHAFLO
c1cn2c(ccc3nc(-c4ccccc4)ccc32)[nH+]1	ZINC000040848705	183379732	/nfs/dbraw/zinc/37/97/32/183379732.db2.gz	MSNXGNRMBBIDQN-UHFFFAOYSA-N	1	2	245.285	3.550	1	0		BHAFLO
COc1cc2cc(C)[nH+]c3cc(C)oc(c1)c23	ZINC000045347811	175026396	/nfs/dbraw/zinc/02/63/96/175026396.db2.gz	DNEYAPWOPSUTSF-UHFFFAOYSA-N	1	2	227.263	3.606	1	0		BHAFLO
c1cn(Cc2ccccc2-c2ccccc2)c[nH+]1	ZINC000059972233	183381166	/nfs/dbraw/zinc/38/11/66/183381166.db2.gz	ZBWBWWQVTSNSIO-UHFFFAOYSA-N	1	2	234.302	3.598	1	0		BHAFLO
CC(C)CNc1cc2c(c[nH+]1)[nH]c1ccccc12	ZINC000066074574	167016647	/nfs/dbraw/zinc/01/66/47/167016647.db2.gz	LSKZONQVXXSOOB-UHFFFAOYSA-N	1	2	239.322	3.784	1	0		BHAFLO
c1cn(Cc2ccc(-c3ccccc3)s2)c[nH+]1	ZINC000066101817	183380068	/nfs/dbraw/zinc/38/00/68/183380068.db2.gz	PFSLZFCTNKWJFW-UHFFFAOYSA-N	1	2	240.331	3.660	1	0		BHAFLO
c1cn(Cc2cccc(-c3ccccc3)c2)c[nH+]1	ZINC000066156819	183379633	/nfs/dbraw/zinc/37/96/33/183379633.db2.gz	FMBIBQYJJRROCK-UHFFFAOYSA-N	1	2	234.302	3.598	1	0		BHAFLO
Cc1ccc2[nH+]c(N3CCCCC3)cc(C)c2c1	ZINC000070463101	132391472	/nfs/dbraw/zinc/39/14/72/132391472.db2.gz	KOJJTOXLLGEJFS-UHFFFAOYSA-N	1	2	240.350	3.842	1	0		BHAFLO
Cc1ccccc1-c1ccc2[nH+]c(N)ccc2c1	ZINC000072178571	179236379	/nfs/dbraw/zinc/23/63/79/179236379.db2.gz	CGNIKISUVFSKGJ-UHFFFAOYSA-N	1	2	234.302	3.792	1	0		BHAFLO
c1ccc(-c2cncc(C3=[NH+]CCCC3)c2)cc1	ZINC000096272819	183380612	/nfs/dbraw/zinc/38/06/12/183380612.db2.gz	QOWBJHLJMBYNKV-UHFFFAOYSA-N	1	2	236.318	3.722	1	0		BHAFLO
C[C@@H](c1ccc(-c2ccccc2)nc1)n1cc[nH+]c1	ZINC000096282900	176013206	/nfs/dbraw/zinc/01/32/06/176013206.db2.gz	FXEVLBPOBBGUKB-ZDUSSCGKSA-N	1	2	249.317	3.554	1	0		BHAFLO
C[C@H](c1ccc(-c2ccccc2)nc1)n1cc[nH+]c1	ZINC000096282901	177031412	/nfs/dbraw/zinc/03/14/12/177031412.db2.gz	FXEVLBPOBBGUKB-CYBMUJFWSA-N	1	2	249.317	3.554	1	0		BHAFLO
c1[nH+]cn2c1c(-c1ccccc1)nc1ccccc12	ZINC000000007564	183383278	/nfs/dbraw/zinc/38/32/78/183383278.db2.gz	HREKZDQONXNENG-UHFFFAOYSA-N	1	2	245.285	3.550	3	0		BHAFLO
Cc1cc(N2CCC[C@@H]2C)[nH+]c2ccccc12	ZINC000070463099	178114987	/nfs/dbraw/zinc/11/49/87/178114987.db2.gz	KGYPMFJTTSZSIG-LBPRGKRZSA-N	1	2	226.323	3.532	3	0		BHAFLO