smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)[C@@H]1CC=C([N+]2(C)CCCCC2)CC1	ZINC000001087385	363059878	/nfs/dbraw/zinc/05/98/78/363059878.db2.gz	SMBJXTXPFDKFNV-CQSZACIVSA-N	1	0	236.423	4.347	40	5		BIBBRO
CC(C)(C)[C@H]1CC=C([N+]2(C)CCCCC2)CC1	ZINC000001087386	384817305	/nfs/dbraw/zinc/81/73/05/384817305.db2.gz	SMBJXTXPFDKFNV-AWEZNQCLSA-N	1	0	236.423	4.347	40	5		BIBBRO
CCC[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N+]2(C)C1	ZINC000001280356	346200028	/nfs/dbraw/zinc/20/00/28/346200028.db2.gz	UVEPGFNBMMUMQG-ZGRMHCKUSA-N	1	0	248.434	4.286	40	5		BIBBRO
Cc1ccc2c[n+]3cc4ccccc4cc3cc2c1	ZINC000001564582	178967242	/nfs/dbraw/zinc/96/72/42/178967242.db2.gz	GNFGIRQEIHKRHI-UHFFFAOYSA-N	1	0	244.317	4.040	40	5		BIBBRO
CCCC[C@H](CC)CSC[N+](C)(CC)CC	ZINC000001568279	169000195	/nfs/dbraw/zinc/00/01/95/169000195.db2.gz	MKWDDPLYVLNBIK-AWEZNQCLSA-N	1	0	246.484	4.380	40	5		BIBBRO
Cc1c(C[N+](C)(C)C)cc(C(C)C)cc1C(C)C	ZINC000001664085	342707538	/nfs/dbraw/zinc/70/75/38/342707538.db2.gz	CHHOOPARQLUYAE-UHFFFAOYSA-N	1	0	248.434	4.448	40	5		BIBBRO
C[N+](C)(Cc1ccccc1)c1ccc(Cl)cc1	ZINC000001686784	177488036	/nfs/dbraw/zinc/48/80/36/177488036.db2.gz	KNYZWDUPDFQGEQ-UHFFFAOYSA-N	1	0	246.761	4.107	40	5		BIBBRO
Cc1cc2c3ccccc3ccc2[n+]2ccccc12	ZINC000001702785	178294515	/nfs/dbraw/zinc/29/45/15/178294515.db2.gz	SPMOGQXFLYYBLE-UHFFFAOYSA-N	1	0	244.317	4.040	40	5		BIBBRO
Cc1ccc[n+]2c1ccc1c3ccccc3ccc12	ZINC000001702786	342710165	/nfs/dbraw/zinc/71/01/65/342710165.db2.gz	GNGXJHRIAQFVFU-UHFFFAOYSA-N	1	0	244.317	4.040	40	5		BIBBRO
Cc1ccc2ccc3c4ccccc4ccc3[n+]2c1	ZINC000001702787	178970716	/nfs/dbraw/zinc/97/07/16/178970716.db2.gz	JGGHZFWNDICVOH-UHFFFAOYSA-N	1	0	244.317	4.040	40	5		BIBBRO
Cc1cccc2cc3c(ccc4ccccc43)c[n+]12	ZINC000001713655	179228148	/nfs/dbraw/zinc/22/81/48/179228148.db2.gz	KWKOYIAXJVOVLI-UHFFFAOYSA-N	1	0	244.317	4.040	40	5		BIBBRO
Cc1c2ccc3ccccc3c2cc2cccc[n+]21	ZINC000001847340	342712889	/nfs/dbraw/zinc/71/28/89/342712889.db2.gz	HLCNFNLWBWLOMI-UHFFFAOYSA-N	1	0	244.317	4.040	40	5		BIBBRO
CCC[C@H]1CC[C@@]2(C)C3=C(CCC3)CC[N+]2(C)C1	ZINC000002099725	169527668	/nfs/dbraw/zinc/52/76/68/169527668.db2.gz	UVEPGFNBMMUMQG-LNJPMGEZSA-N	1	0	248.434	4.286	40	5		BIBBRO
CCC[C@@H]1CC[C@@]2(C)C3=C(CCC3)CC[N+]2(C)C1	ZINC000002099728	169420070	/nfs/dbraw/zinc/42/00/70/169420070.db2.gz	UVEPGFNBMMUMQG-NAVMLSPISA-N	1	0	248.434	4.286	40	5		BIBBRO
CCC[C@H]1C[C@@]2(C)C3=C(CCCC3)CC[N+]2(C)C1	ZINC000002124396	346216226	/nfs/dbraw/zinc/21/62/26/346216226.db2.gz	CGYUYEBIDCVBHC-LNJPMGEZSA-N	1	0	248.434	4.286	40	5		BIBBRO
CCC[C@@H]1C[C@@]2(C)C3=C(CCCC3)CC[N+]2(C)C1	ZINC000002124397	397736813	/nfs/dbraw/zinc/73/68/13/397736813.db2.gz	CGYUYEBIDCVBHC-NAVMLSPISA-N	1	0	248.434	4.286	40	5		BIBBRO
CCCC[n+]1cccc2c3ccccc3ccc21	ZINC000003158372	188157267	/nfs/dbraw/zinc/15/72/67/188157267.db2.gz	KTFIUPTVKXOUAH-UHFFFAOYSA-N	1	0	236.338	4.081	40	5		BIBBRO
C[C@H]([NH3+])c1c2ccccc2cc2ccccc21	ZINC000003705464	342736972	/nfs/dbraw/zinc/73/69/72/342736972.db2.gz	RZLKNOOWSHXPRB-NSHDSACASA-N	1	0	221.303	4.013	40	5		BIBBRO
C[C@@H]([NH3+])c1c2ccccc2cc2ccccc21	ZINC000003705465	384023591	/nfs/dbraw/zinc/02/35/91/384023591.db2.gz	RZLKNOOWSHXPRB-LLVKDONJSA-N	1	0	221.303	4.013	40	5		BIBBRO
CCC[C@@H]1CC[C@]2(C)C3=C(CCC3)CC[N+]2(C)C1	ZINC000004023393	169420142	/nfs/dbraw/zinc/42/01/42/169420142.db2.gz	UVEPGFNBMMUMQG-OMOCGIRRSA-N	1	0	248.434	4.286	40	5		BIBBRO
CCC[C@@H]1C[C@]2(C)C3=C(CCCC3)CC[N+]2(C)C1	ZINC000004026407	169443254	/nfs/dbraw/zinc/44/32/54/169443254.db2.gz	CGYUYEBIDCVBHC-OMOCGIRRSA-N	1	0	248.434	4.286	40	5		BIBBRO
CCC[C@H]1C[C@]2(C)C3=C(CCCC3)CC[N+]2(C)C1	ZINC000004026408	346241201	/nfs/dbraw/zinc/24/12/01/346241201.db2.gz	CGYUYEBIDCVBHC-ZGRMHCKUSA-N	1	0	248.434	4.286	40	5		BIBBRO
N#[N+]c1ccc2ccc3ccccc3c2c1	ZINC000005086069	342757989	/nfs/dbraw/zinc/75/79/89/342757989.db2.gz	JWOFCAKYGBOBGE-UHFFFAOYSA-N	1	0	205.240	4.478	40	5		BIBBRO
CCCC[C@@H](CC)CSC[N+](C)(CC)CC	ZINC000006379580	168959158	/nfs/dbraw/zinc/95/91/58/168959158.db2.gz	MKWDDPLYVLNBIK-CQSZACIVSA-N	1	0	246.484	4.380	40	5		BIBBRO
O=[p+]1oc2ccccc2c2ccccc21	ZINC000038322227	343373825	/nfs/dbraw/zinc/37/38/25/343373825.db2.gz	DWSWCPPGLRSPIT-UHFFFAOYSA-N	1	0	215.168	4.328	40	5		BIBBRO
[NH3+]Cc1c2ccccc2c(Cl)c2ccccc21	ZINC000044249305	181472815	/nfs/dbraw/zinc/47/28/15/181472815.db2.gz	HPBNFNAAAHQGNY-UHFFFAOYSA-N	1	0	241.721	4.105	40	5		BIBBRO
CC(C)[NH2+]Cc1c2ccccc2cc2ccccc21	ZINC000060806110	167116073	/nfs/dbraw/zinc/11/60/73/167116073.db2.gz	XEXRSILFHUZWBG-UHFFFAOYSA-N	1	0	249.357	4.491	40	5		BIBBRO
CCC[NH2+]Cc1c2ccccc2cc2ccccc21	ZINC000060815316	169265433	/nfs/dbraw/zinc/26/54/33/169265433.db2.gz	OMPWTBZAWCPZBW-UHFFFAOYSA-N	1	0	249.357	4.493	40	5		BIBBRO
CC1=C(C)[N+](C)(C)c2ccc3ccccc3c21	ZINC000095931972	168086356	/nfs/dbraw/zinc/08/63/56/168086356.db2.gz	KLZHTUQDYMNXKU-UHFFFAOYSA-N	1	0	224.327	4.171	40	5		BIBBRO
C[C@@H](CC[NH3+])c1ccc2c(ccc3ccccc32)c1	ZINC000225752630	524484419	/nfs/dbraw/zinc/48/44/19/524484419.db2.gz	IFOIIOFQXPIPEH-ZDUSSCGKSA-N	1	0	249.357	4.445	40	5		BIBBRO
C[C@H](CC[NH3+])c1ccc2c(ccc3ccccc32)c1	ZINC000225752656	524172686	/nfs/dbraw/zinc/17/26/86/524172686.db2.gz	IFOIIOFQXPIPEH-CYBMUJFWSA-N	1	0	249.357	4.445	40	5		BIBBRO