smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(C1CCCCC1)C1CCCCC1	ZINC000001674249	166087907	/nfs/dbraw/zinc/08/79/07/166087907.db2.gz	XXKOQQBKBHUATC-UHFFFAOYSA-N	0	0	180.335	4.537	10	0		AJAERN
CCC(CC)c1cccc2ccccc21	ZINC000001704562	572581025	/nfs/dbraw/zinc/58/10/25/572581025.db2.gz	FAZYYSYNXQVQNY-UHFFFAOYSA-N	0	0	198.309	4.743	10	0		AJAERN
CCCCC=C1C[C@@H](C)C[C@H](C)C1	ZINC000001765388	571784960	/nfs/dbraw/zinc/78/49/60/571784960.db2.gz	AKODMFVIZZJTGK-RYUDHWBXSA-N	0	0	180.335	4.559	10	0		AJAERN
CCCCC=C1C[C@H](C)C[C@@H](C)C1	ZINC000001765389	166846767	/nfs/dbraw/zinc/84/67/67/166846767.db2.gz	AKODMFVIZZJTGK-VXGBXAGGSA-N	0	0	180.335	4.559	10	0		AJAERN
CCCCC/C=C/CCCCC	ZINC000002539605	571877982	/nfs/dbraw/zinc/87/79/82/571877982.db2.gz	DZGHBGLILAEHOR-VAWYXSNFSA-N	0	0	168.324	4.703	10	0		AJAERN
CCCCCC[C@H]1CCCC[C@@H]1C	ZINC000002558865	342976533	/nfs/dbraw/zinc/97/65/33/342976533.db2.gz	YBURYLRJEWDREX-STQMWFEESA-N	0	0	182.351	4.783	10	0		AJAERN
CCCC(CCC)(C(C)C)C(C)C	ZINC000002583639	571875988	/nfs/dbraw/zinc/87/59/88/571875988.db2.gz	NVJRGGOSNPOOGY-UHFFFAOYSA-N	0	0	184.367	4.885	10	0		AJAERN
C1[C@@H]2CCCCCCCCCC[C@@H]12	ZINC000003165526	571807810	/nfs/dbraw/zinc/80/78/10/571807810.db2.gz	AVLHSKUBJLLTQD-STQMWFEESA-N	0	0	180.335	4.537	10	0		AJAERN
CCCCCC[C@@H](C)C/C=C\OCC	ZINC000038647116	571852560	/nfs/dbraw/zinc/85/25/60/571852560.db2.gz	DOKCVINUNJXDFD-KIWPFMIBSA-N	0	0	198.350	4.533	10	0		AJAERN
CCCC[C@@H](C)CCC=C(C)C	ZINC000059109430	343342066	/nfs/dbraw/zinc/34/20/66/343342066.db2.gz	YRZOHUILUXHAJX-GFCCVEGCSA-N	0	0	168.324	4.559	10	0		AJAERN
CCCCCC[C@@H](CC)CCC	ZINC000067738056	572127245	/nfs/dbraw/zinc/12/72/45/572127245.db2.gz	IGTKVLJTIZALGL-LBPRGKRZSA-N	0	0	170.340	4.783	10	0		AJAERN
CCCCCC[C@H](CC)CCC	ZINC000067738057	166856808	/nfs/dbraw/zinc/85/68/08/166856808.db2.gz	IGTKVLJTIZALGL-GFCCVEGCSA-N	0	0	170.340	4.783	10	0		AJAERN
CCCCC(CCC)CCCC	ZINC000067738059	572120065	/nfs/dbraw/zinc/12/00/65/572120065.db2.gz	ISHSSTRAYNPQFX-UHFFFAOYSA-N	0	0	170.340	4.783	10	0		AJAERN
CCC[C@@H](C)CCC[C@@H](C)CC	ZINC000078206078	167030515	/nfs/dbraw/zinc/03/05/15/167030515.db2.gz	VDAVEASVPZDNQB-NWDGAFQWSA-N	0	0	170.340	4.639	10	0		AJAERN
CCC[C@H](C)CCC[C@@H](C)CC	ZINC000078206079	167063234	/nfs/dbraw/zinc/06/32/34/167063234.db2.gz	VDAVEASVPZDNQB-RYUDHWBXSA-N	0	0	170.340	4.639	10	0		AJAERN
CCC[C@@H](C)CCC[C@H](C)CC	ZINC000078206080	167030232	/nfs/dbraw/zinc/03/02/32/167030232.db2.gz	VDAVEASVPZDNQB-VXGBXAGGSA-N	0	0	170.340	4.639	10	0		AJAERN
CCC[C@H](C)CCC[C@H](C)CC	ZINC000078206081	167063927	/nfs/dbraw/zinc/06/39/27/167063927.db2.gz	VDAVEASVPZDNQB-NEPJUHHUSA-N	0	0	170.340	4.639	10	0		AJAERN
Cc1cccc(C)c2cc(C(C)C)cc1-2	ZINC000078583362	351626894	/nfs/dbraw/zinc/62/68/94/351626894.db2.gz	APVKGMMYGFJZHY-UHFFFAOYSA-N	0	0	198.309	4.532	10	0	biogenic,in-vitro	AJAERN
CCCCCC[C@@H](C)[C@@H](C)CC	ZINC000079364431	343587131	/nfs/dbraw/zinc/58/71/31/343587131.db2.gz	NRBMEEDORZDRIT-NWDGAFQWSA-N	0	0	170.340	4.639	10	0		AJAERN
CCCCCC[C@H](C)[C@@H](C)CC	ZINC000079364433	343587090	/nfs/dbraw/zinc/58/70/90/343587090.db2.gz	NRBMEEDORZDRIT-RYUDHWBXSA-N	0	0	170.340	4.639	10	0		AJAERN
CCCCCC[C@@H](C)[C@H](C)CC	ZINC000079364438	343586821	/nfs/dbraw/zinc/58/68/21/343586821.db2.gz	NRBMEEDORZDRIT-VXGBXAGGSA-N	0	0	170.340	4.639	10	0		AJAERN
CCCCCC[C@H](C)[C@H](C)CC	ZINC000079364441	343587063	/nfs/dbraw/zinc/58/70/63/343587063.db2.gz	NRBMEEDORZDRIT-NEPJUHHUSA-N	0	0	170.340	4.639	10	0		AJAERN
CCC[C@@H](CC)[C@@H](CC)CCC	ZINC000079425363	343588440	/nfs/dbraw/zinc/58/84/40/343588440.db2.gz	XRVCHXCONYJHLU-TXEJJXNPSA-N	0	0	170.340	4.639	10	0		AJAERN
CCC[C@H](CC)[C@@H](CC)CCC	ZINC000079425364	343588457	/nfs/dbraw/zinc/58/84/57/343588457.db2.gz	XRVCHXCONYJHLU-RYUDHWBXSA-N	0	0	170.340	4.639	10	0		AJAERN
CCC[C@@H](CC)[C@H](CC)CCC	ZINC000079425367	343588539	/nfs/dbraw/zinc/58/85/39/343588539.db2.gz	XRVCHXCONYJHLU-VXGBXAGGSA-N	0	0	170.340	4.639	10	0		AJAERN
CC[C@@H](C)C[C@@H](C)CCCC(C)C	ZINC000079566582	571781337	/nfs/dbraw/zinc/78/13/37/571781337.db2.gz	SWDJLVOSNCGQGB-OLZOCXBDSA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CC[C@H](C)C[C@@H](C)CCCC(C)C	ZINC000079566585	571781329	/nfs/dbraw/zinc/78/13/29/571781329.db2.gz	SWDJLVOSNCGQGB-STQMWFEESA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CC[C@@H](C)C[C@H](C)CCCC(C)C	ZINC000079566589	571781293	/nfs/dbraw/zinc/78/12/93/571781293.db2.gz	SWDJLVOSNCGQGB-CHWSQXEVSA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CC[C@H](C)C[C@H](C)CCCC(C)C	ZINC000079566593	571781195	/nfs/dbraw/zinc/78/11/95/571781195.db2.gz	SWDJLVOSNCGQGB-QWHCGFSZSA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CCCCC/C=C\CCCCC	ZINC000080917907	571969788	/nfs/dbraw/zinc/96/97/88/571969788.db2.gz	DZGHBGLILAEHOR-QXMHVHEDSA-N	0	0	168.324	4.703	10	0		AJAERN
CC1=C(/C=C/C(C)C)C(C)(C)CCC1	ZINC000084403388	343635706	/nfs/dbraw/zinc/63/57/06/343635706.db2.gz	WLEXEGYAWDQJEL-CMDGGOBGSA-N	0	0	192.346	4.725	10	0		AJAERN
CCCCCC[C@@H](C)[C@@H](C)C(C)C	ZINC000085972331	571792197	/nfs/dbraw/zinc/79/21/97/571792197.db2.gz	YFHGNGNLIWGTTR-OLZOCXBDSA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CCCCCC[C@H](C)[C@@H](C)C(C)C	ZINC000085972335	571792418	/nfs/dbraw/zinc/79/24/18/571792418.db2.gz	YFHGNGNLIWGTTR-STQMWFEESA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CCCCCC[C@@H](C)[C@H](C)C(C)C	ZINC000085972338	571792365	/nfs/dbraw/zinc/79/23/65/571792365.db2.gz	YFHGNGNLIWGTTR-CHWSQXEVSA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CCCCCC[C@H](C)[C@H](C)C(C)C	ZINC000085972342	571792368	/nfs/dbraw/zinc/79/23/68/571792368.db2.gz	YFHGNGNLIWGTTR-QWHCGFSZSA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CCC[C@@H](C)[C@@H](C)CCCC(C)C	ZINC000085972363	571792438	/nfs/dbraw/zinc/79/24/38/571792438.db2.gz	OBRONVGOGGDKLB-OLZOCXBDSA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CCC[C@H](C)[C@@H](C)CCCC(C)C	ZINC000085972365	571792386	/nfs/dbraw/zinc/79/23/86/571792386.db2.gz	OBRONVGOGGDKLB-STQMWFEESA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CCC[C@@H](C)[C@H](C)CCCC(C)C	ZINC000085972368	571792406	/nfs/dbraw/zinc/79/24/06/571792406.db2.gz	OBRONVGOGGDKLB-CHWSQXEVSA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CCC[C@H](C)[C@H](C)CCCC(C)C	ZINC000085972373	571792316	/nfs/dbraw/zinc/79/23/16/571792316.db2.gz	OBRONVGOGGDKLB-QWHCGFSZSA-N	0	0	184.367	4.885	10	0	endogenous,in-man	AJAERN
CC[C@@H](C)c1ccc2ccc(C)cc2c1	ZINC000090414070	351664878	/nfs/dbraw/zinc/66/48/78/351664878.db2.gz	JQBSVVWCUAFQOU-GFCCVEGCSA-N	0	0	198.309	4.662	10	0		AJAERN
CC[C@H](C)c1ccc2ccc(C)cc2c1	ZINC000090414071	343675719	/nfs/dbraw/zinc/67/57/19/343675719.db2.gz	JQBSVVWCUAFQOU-LBPRGKRZSA-N	0	0	198.309	4.662	10	0		AJAERN
CCCC[C@@H](C)[C@@H](C)CCC(C)C	ZINC000090425817	572457713	/nfs/dbraw/zinc/45/77/13/572457713.db2.gz	HBEWRUSPWIMDCH-OLZOCXBDSA-N	0	0	184.367	4.885	10	0		AJAERN
CCCC[C@H](C)[C@@H](C)CCC(C)C	ZINC000090425821	572459014	/nfs/dbraw/zinc/45/90/14/572459014.db2.gz	HBEWRUSPWIMDCH-STQMWFEESA-N	0	0	184.367	4.885	10	0		AJAERN
CCCC[C@@H](C)[C@H](C)CCC(C)C	ZINC000090425824	560045742	/nfs/dbraw/zinc/04/57/42/560045742.db2.gz	HBEWRUSPWIMDCH-CHWSQXEVSA-N	0	0	184.367	4.885	10	0	biogenic,in-vitro	AJAERN
CCCC[C@H](C)[C@H](C)CCC(C)C	ZINC000090425827	572457857	/nfs/dbraw/zinc/45/78/57/572457857.db2.gz	HBEWRUSPWIMDCH-QWHCGFSZSA-N	0	0	184.367	4.885	10	0		AJAERN
C/C(=C(\C)C1CCCCC1)C(C)C	ZINC000090755623	573202374	/nfs/dbraw/zinc/20/23/74/573202374.db2.gz	NUPAEFQSBCOSPT-QXMHVHEDSA-N	0	0	180.335	4.559	10	0		AJAERN
CC/C=C/C[C@@H](CC)c1ccccc1	ZINC000095868807	573573124	/nfs/dbraw/zinc/57/31/24/573573124.db2.gz	LAMNEKOHDMNJCC-VUDGCMKMSA-N	0	0	188.314	4.537	10	0		AJAERN
CC[C@@H](C)c1ccc2cccc(C)c2c1	ZINC000095934754	351677052	/nfs/dbraw/zinc/67/70/52/351677052.db2.gz	KMBFAEWMORJFOV-LLVKDONJSA-N	0	0	198.309	4.662	10	0		AJAERN
CC[C@H](C)c1ccc2cccc(C)c2c1	ZINC000095934755	343691587	/nfs/dbraw/zinc/69/15/87/343691587.db2.gz	KMBFAEWMORJFOV-NSHDSACASA-N	0	0	198.309	4.662	10	0		AJAERN
CCCCCC(C)CCCCC	ZINC000096334091	343696892	/nfs/dbraw/zinc/69/68/92/343696892.db2.gz	VPYZCUCKYWHJGX-UHFFFAOYSA-N	0	0	170.340	4.783	10	0		AJAERN
CCCCCC[C@@H]1CCCC[C@@H]1C	ZINC000104369900	343730909	/nfs/dbraw/zinc/73/09/09/343730909.db2.gz	YBURYLRJEWDREX-QWHCGFSZSA-N	0	0	182.351	4.783	10	0		AJAERN
CCCCCC[C@@H]1CCCC[C@H]1C	ZINC000104369902	343730924	/nfs/dbraw/zinc/73/09/24/343730924.db2.gz	YBURYLRJEWDREX-CHWSQXEVSA-N	0	0	182.351	4.783	10	0		AJAERN
CCCCCC[C@H]1CCCC[C@H]1C	ZINC000104369905	166857282	/nfs/dbraw/zinc/85/72/82/166857282.db2.gz	YBURYLRJEWDREX-OLZOCXBDSA-N	0	0	182.351	4.783	10	0		AJAERN
C(C=C1CCCCC1)=C1CCCCC1	ZINC000104841776	166047035	/nfs/dbraw/zinc/04/70/35/166047035.db2.gz	ARNVRGJBMXJHBD-UHFFFAOYSA-N	0	0	190.330	4.767	10	0		AJAERN
CC1(C)CCCC(C)(C)C1=C=CCl	ZINC000104842247	517505078	/nfs/dbraw/zinc/50/50/78/517505078.db2.gz	JTIINOLJZWOZMX-UHFFFAOYSA-N	0	0	198.737	4.501	10	0		AJAERN
C=C/C=C\C[C@@H](C)CCC=C(C)C	ZINC000105892579	573283895	/nfs/dbraw/zinc/28/38/95/573283895.db2.gz	JAAJLIGVBQXALP-FMFIFOJESA-N	0	0	178.319	4.501	10	0		AJAERN
C(=C\C1CCCCC1)\C1CCCCC1	ZINC000108705444	166044139	/nfs/dbraw/zinc/04/41/39/166044139.db2.gz	IWUAWQPCHKUUCI-QXMHVHEDSA-N	0	0	192.346	4.703	10	0		AJAERN
CC[C@@H](C)c1ccc([C@@H](C)CC)cc1	ZINC000111328029	574009825	/nfs/dbraw/zinc/00/98/25/574009825.db2.gz	BMVSGYZZGVEXTB-TXEJJXNPSA-N	0	0	190.330	4.714	10	0		AJAERN
CC(C)(C)C1CCC(C(C)(C)C)CC1	ZINC000111342371	574011392	/nfs/dbraw/zinc/01/13/92/574011392.db2.gz	IBTCQHAOKZFUES-UHFFFAOYSA-N	0	0	196.378	4.885	10	0		AJAERN
CC[C@@H]1CCCC[C@@H]1C1CCCCC1	ZINC000111342859	574011426	/nfs/dbraw/zinc/01/14/26/574011426.db2.gz	UGQREFNYSITUMG-OCCSQVGLSA-N	0	0	194.362	4.783	10	0		AJAERN
CC[C@H]1CCCC[C@@H]1C1CCCCC1	ZINC000111342862	574009399	/nfs/dbraw/zinc/00/93/99/574009399.db2.gz	UGQREFNYSITUMG-JSGCOSHPSA-N	0	0	194.362	4.783	10	0		AJAERN
CC[C@@H]1CCCC[C@H]1C1CCCCC1	ZINC000111342864	574009409	/nfs/dbraw/zinc/00/94/09/574009409.db2.gz	UGQREFNYSITUMG-TZMCWYRMSA-N	0	0	194.362	4.783	10	0		AJAERN
CC[C@H]1CCCC[C@H]1C1CCCCC1	ZINC000111342866	574010840	/nfs/dbraw/zinc/01/08/40/574010840.db2.gz	UGQREFNYSITUMG-GXTWGEPZSA-N	0	0	194.362	4.783	10	0		AJAERN
CCCC[C@@H]1CCC[C@H]1CCCC	ZINC000111346776	343754265	/nfs/dbraw/zinc/75/42/65/343754265.db2.gz	XQUKCZAAJLJJPJ-CHWSQXEVSA-N	0	0	182.351	4.783	10	0		AJAERN
CCCCC[C@@H](C)C[C@@H](C)C(C)C	ZINC000111346798	571860361	/nfs/dbraw/zinc/86/03/61/571860361.db2.gz	AQDNBRMRIRTYIA-CHWSQXEVSA-N	0	0	184.367	4.885	10	0		AJAERN
CCCCC[C@H](C)C[C@@H](C)C(C)C	ZINC000111346800	571859000	/nfs/dbraw/zinc/85/90/00/571859000.db2.gz	AQDNBRMRIRTYIA-QWHCGFSZSA-N	0	0	184.367	4.885	10	0		AJAERN
CCCCC[C@@H](C)C[C@H](C)C(C)C	ZINC000111346803	571859638	/nfs/dbraw/zinc/85/96/38/571859638.db2.gz	AQDNBRMRIRTYIA-OLZOCXBDSA-N	0	0	184.367	4.885	10	0		AJAERN
CCCCC[C@H](C)C[C@H](C)C(C)C	ZINC000111346806	571859140	/nfs/dbraw/zinc/85/91/40/571859140.db2.gz	AQDNBRMRIRTYIA-STQMWFEESA-N	0	0	184.367	4.885	10	0		AJAERN
CC(C)c1ccc(Cl)c(C(C)C)c1	ZINC000111350536	574013069	/nfs/dbraw/zinc/01/30/69/574013069.db2.gz	COVLIGFZJREENS-UHFFFAOYSA-N	0	0	196.721	4.587	10	0		AJAERN
CC1CCCCCCCCCCC1	ZINC000111355727	574015762	/nfs/dbraw/zinc/01/57/62/574015762.db2.gz	MAJAJAXSPRXRRS-UHFFFAOYSA-N	0	0	182.351	4.927	10	0		AJAERN
CCCCCC[C@@H](C)C(C)(C)C	ZINC000111365102	574015681	/nfs/dbraw/zinc/01/56/81/574015681.db2.gz	XXNUJUNKYOZLAJ-LLVKDONJSA-N	0	0	170.340	4.639	10	0		AJAERN
FC1CCCCCCCCCCC1	ZINC000114639380	573101517	/nfs/dbraw/zinc/10/15/17/573101517.db2.gz	YGLXLZAFMMHICS-UHFFFAOYSA-N	0	0	186.314	4.629	10	0		AJAERN
CCCC[C@H](C)CCC=C(C)C	ZINC000115481791	572624022	/nfs/dbraw/zinc/62/40/22/572624022.db2.gz	YRZOHUILUXHAJX-LBPRGKRZSA-N	0	0	168.324	4.559	10	0		AJAERN
CCC/C=C(\C)CCCCCC	ZINC000117775317	343773388	/nfs/dbraw/zinc/77/33/88/343773388.db2.gz	BVMMHBZCLRORPY-ZRDIBKRKSA-N	0	0	168.324	4.703	10	0		AJAERN
CCCC(C)(C)CC[C@@H](C)CC	ZINC000118762925	571752563	/nfs/dbraw/zinc/75/25/63/571752563.db2.gz	CBDYLMAJISNHBH-NSHDSACASA-N	0	0	170.340	4.639	10	0		AJAERN
CC1=C(C)C(C)=C(C)C(C)C(C)=C1C	ZINC000135641496	573424912	/nfs/dbraw/zinc/42/49/12/573424912.db2.gz	OCVRYFQBRRRTSA-UHFFFAOYSA-N	0	0	190.330	4.645	10	0		AJAERN
CCCC/C=C(/C)CCCCC	ZINC000135956676	573702021	/nfs/dbraw/zinc/70/20/21/573702021.db2.gz	LUBVTHCRLBKAPB-BENRWUELSA-N	0	0	168.324	4.703	10	0		AJAERN
CC1(C)C[C@H]2CCCCCCCC[C@@H]21	ZINC000138927269	571861101	/nfs/dbraw/zinc/86/11/01/571861101.db2.gz	SGQMGQRHHZCKMQ-OLZOCXBDSA-N	0	0	194.362	4.783	10	0		AJAERN
CC1(C)C[C@@H]2CCCCCCCC[C@@H]21	ZINC000138927380	571859063	/nfs/dbraw/zinc/85/90/63/571859063.db2.gz	SGQMGQRHHZCKMQ-STQMWFEESA-N	0	0	194.362	4.783	10	0		AJAERN
CC1(C)C[C@H]2CCCCCCCC[C@H]21	ZINC000138927511	571859940	/nfs/dbraw/zinc/85/99/40/571859940.db2.gz	SGQMGQRHHZCKMQ-CHWSQXEVSA-N	0	0	194.362	4.783	10	0		AJAERN
CC1(C)C[C@@H]2CCCCCCCC[C@H]21	ZINC000138927623	571860934	/nfs/dbraw/zinc/86/09/34/571860934.db2.gz	SGQMGQRHHZCKMQ-QWHCGFSZSA-N	0	0	194.362	4.783	10	0		AJAERN
CC(C)(C)[C@@H]1CCCC[C@@H]1C(C)(C)C	ZINC000139478317	572026636	/nfs/dbraw/zinc/02/66/36/572026636.db2.gz	FPPQKYTWISSUGQ-TXEJJXNPSA-N	0	0	196.378	4.885	10	0		AJAERN
CC(C)(C)[C@H]1CCCC[C@@H]1C(C)(C)C	ZINC000139478435	571723035	/nfs/dbraw/zinc/72/30/35/571723035.db2.gz	FPPQKYTWISSUGQ-RYUDHWBXSA-N	0	0	196.378	4.885	10	0		AJAERN
CC[C@H](C)CCCC(C)(C)CC	ZINC000139693187	571723653	/nfs/dbraw/zinc/72/36/53/571723653.db2.gz	NZYGFHSHEQXPFT-NSHDSACASA-N	0	0	170.340	4.639	10	0		AJAERN
CCCC[C@H](CCC)C(C)(C)C	ZINC000140241491	571730297	/nfs/dbraw/zinc/73/02/97/571730297.db2.gz	RWILNGDOCMDMJW-NSHDSACASA-N	0	0	170.340	4.639	10	0		AJAERN
CCC(C)(C)[C@@H](C)C1CCCCC1	ZINC000140840053	572608108	/nfs/dbraw/zinc/60/81/08/572608108.db2.gz	UAPPTCJSYQWNJS-NSHDSACASA-N	0	0	182.351	4.639	10	0		AJAERN
CCC1(C2CCCCC2)CCCCC1	ZINC000141452171	571756006	/nfs/dbraw/zinc/75/60/06/571756006.db2.gz	BRHSVPUTRABCNY-UHFFFAOYSA-N	0	0	194.362	4.927	10	0		AJAERN
C[Si](C)(C)CC=C1CCCCCC1	ZINC000196171268	351774956	/nfs/dbraw/zinc/77/49/56/351774956.db2.gz	ZIEJBZBGVAPUBK-UHFFFAOYSA-N	0	0	196.410	4.605	10	0		AJAERN
CCC/C=C/CCC/C=C\CCC	ZINC000204820579	572412769	/nfs/dbraw/zinc/41/27/69/572412769.db2.gz	GKTYKLMDPISOLJ-FKJILZIQSA-N	0	0	180.335	4.869	10	0		AJAERN
CCC/C=C/CCC/C=C/CCC	ZINC000204820592	572412517	/nfs/dbraw/zinc/41/25/17/572412517.db2.gz	GKTYKLMDPISOLJ-FIFLTTCUSA-N	0	0	180.335	4.869	10	0		AJAERN
CCCCC/C=C\c1ccccc1C	ZINC000205037703	572968866	/nfs/dbraw/zinc/96/88/66/572968866.db2.gz	WEXIRYYRJZIQDS-XFFZJAGNSA-N	0	0	188.314	4.589	10	0		AJAERN
CCCCC/C=C\c1ccc(C)cc1	ZINC000205051757	572979309	/nfs/dbraw/zinc/97/93/09/572979309.db2.gz	XYRKNWBSCZTLNQ-FPLPWBNLSA-N	0	0	188.314	4.589	10	0		AJAERN
CCCCC/C=C/c1ccc(C)cc1	ZINC000205051774	572978949	/nfs/dbraw/zinc/97/89/49/572978949.db2.gz	XYRKNWBSCZTLNQ-BQYQJAHWSA-N	0	0	188.314	4.589	10	0		AJAERN
C[C@@H]1CCCC[C@@]1(C)C1CCCCC1	ZINC000205338268	573692612	/nfs/dbraw/zinc/69/26/12/573692612.db2.gz	HAQAWDPMMRDNFB-TZMCWYRMSA-N	0	0	194.362	4.783	10	0		AJAERN
C[C@H]1CCCC[C@@]1(C)C1CCCCC1	ZINC000205338273	573688454	/nfs/dbraw/zinc/68/84/54/573688454.db2.gz	HAQAWDPMMRDNFB-GXTWGEPZSA-N	0	0	194.362	4.783	10	0		AJAERN
C[C@@H]1CCCC[C@]1(C)C1CCCCC1	ZINC000205338289	573689135	/nfs/dbraw/zinc/68/91/35/573689135.db2.gz	HAQAWDPMMRDNFB-OCCSQVGLSA-N	0	0	194.362	4.783	10	0		AJAERN
C[C@H]1CCCC[C@]1(C)C1CCCCC1	ZINC000205338305	573690107	/nfs/dbraw/zinc/69/01/07/573690107.db2.gz	HAQAWDPMMRDNFB-JSGCOSHPSA-N	0	0	194.362	4.783	10	0		AJAERN
CCCCC1=CCCCC12CCCC2	ZINC000205449616	573206613	/nfs/dbraw/zinc/20/66/13/573206613.db2.gz	OCCKACMSYUXAIW-UHFFFAOYSA-N	0	0	192.346	4.847	10	0		AJAERN
C/C=C/[C@H](C)/C=C(/Cl)CCCC	ZINC000205538572	573924515	/nfs/dbraw/zinc/92/45/15/573924515.db2.gz	QIDDZRSUFNLBHK-KWIYWRASSA-N	0	0	186.726	4.512	10	0		AJAERN
CC(C)(C)[C@@H]1CC=C[C@@H](C(C)(C)C)C1	ZINC000205590743	574035789	/nfs/dbraw/zinc/03/57/89/574035789.db2.gz	FLONXKMYZXLVKZ-VXGBXAGGSA-N	0	0	194.362	4.661	10	0		AJAERN
CCCCC/C=C\CCC=C(C)C	ZINC000207003164	572416929	/nfs/dbraw/zinc/41/69/29/572416929.db2.gz	RVNPAFWVOYFLLN-HJWRWDBZSA-N	0	0	180.335	4.869	10	0		AJAERN
CCCCC/C=C/CCC=C(C)C	ZINC000207003202	572418108	/nfs/dbraw/zinc/41/81/08/572418108.db2.gz	RVNPAFWVOYFLLN-CMDGGOBGSA-N	0	0	180.335	4.869	10	0		AJAERN
CC[C@H](C)/C=C\[Si](C)(C)[C@@H](C)CC	ZINC000207256225	572447599	/nfs/dbraw/zinc/44/75/99/572447599.db2.gz	FDKQWLBYIWDFAQ-XJNROGLQSA-N	0	0	198.426	4.636	10	0		AJAERN
CC(C)(C)[C@H]1C=CC[C@@H](C(C)(C)C)C1	ZINC000214516973	573403801	/nfs/dbraw/zinc/40/38/01/573403801.db2.gz	FLONXKMYZXLVKZ-NWDGAFQWSA-N	0	0	194.362	4.661	10	0		AJAERN
CC(C)(C)[C@@H]1C=CC[C@H](C(C)(C)C)C1	ZINC000214517086	573407649	/nfs/dbraw/zinc/40/76/49/573407649.db2.gz	FLONXKMYZXLVKZ-NEPJUHHUSA-N	0	0	194.362	4.661	10	0		AJAERN
CC(C)=CCC[C@H](C)C/C=C/Cl	ZINC000214840739	573744545	/nfs/dbraw/zinc/74/45/45/573744545.db2.gz	DZQWBSLIRVWAME-NKLKJHRZSA-N	0	0	186.726	4.512	10	0		AJAERN
CC(C)=CCCCC1CCCCC1	ZINC000215409599	573787266	/nfs/dbraw/zinc/78/72/66/573787266.db2.gz	WSARPOWGDSWUAC-UHFFFAOYSA-N	0	0	180.335	4.703	10	0		AJAERN
CC/C=C/C[C@@H](C)c1ccc(C)s1	ZINC000238221226	572371559	/nfs/dbraw/zinc/37/15/59/572371559.db2.gz	KIKBQVSJHXBOLL-BRAIEQGRSA-N	0	0	194.343	4.516	10	0		AJAERN
CC/C=C/C[C@@H](C)c1sccc1C	ZINC000238221285	572373339	/nfs/dbraw/zinc/37/33/39/572373339.db2.gz	IBKOIEXZFCCFDJ-BRAIEQGRSA-N	0	0	194.343	4.516	10	0		AJAERN
CC/C=C/C[C@@H](CC)c1cccs1	ZINC000238221350	572374309	/nfs/dbraw/zinc/37/43/09/572374309.db2.gz	GTQPZJRFURIFTI-MVIFTORASA-N	0	0	194.343	4.598	10	0		AJAERN
CC/C=C/C[C@H](C)c1ccc(C)s1	ZINC000238222307	572375995	/nfs/dbraw/zinc/37/59/95/572375995.db2.gz	KIKBQVSJHXBOLL-PORFMDCZSA-N	0	0	194.343	4.516	10	0		AJAERN
CC/C=C/C[C@H](C)c1sccc1C	ZINC000238222347	572377298	/nfs/dbraw/zinc/37/72/98/572377298.db2.gz	IBKOIEXZFCCFDJ-PORFMDCZSA-N	0	0	194.343	4.516	10	0		AJAERN
CC/C=C/C[C@H](CC)c1cccs1	ZINC000238222404	572368697	/nfs/dbraw/zinc/36/86/97/572368697.db2.gz	GTQPZJRFURIFTI-QRGHLMKCSA-N	0	0	194.343	4.598	10	0		AJAERN
C/C=C/C[C@@H](CC)c1ccc(C)s1	ZINC000238272094	572503153	/nfs/dbraw/zinc/50/31/53/572503153.db2.gz	AIBAEHDWLVWCSY-DUMNWFOQSA-N	0	0	194.343	4.516	10	0		AJAERN
C/C=C/C[C@@H](CC)c1sccc1C	ZINC000238272155	572502218	/nfs/dbraw/zinc/50/22/18/572502218.db2.gz	AGSLYMUSKLGXJG-DUMNWFOQSA-N	0	0	194.343	4.516	10	0		AJAERN
CCC[C@@H]1C[C@H](C)[C@@H](C)[C@@H](CCC)C1	ZINC000256172938	573361262	/nfs/dbraw/zinc/36/12/62/573361262.db2.gz	ZWELDUQWXJORPH-DGAVXFQQSA-N	0	0	196.378	4.885	10	0		AJAERN
CCC[C@@H]1C[C@H](C)[C@H](C)[C@@H](CCC)C1	ZINC000256172941	573357182	/nfs/dbraw/zinc/35/71/82/573357182.db2.gz	ZWELDUQWXJORPH-FQUUOJAGSA-N	0	0	196.378	4.885	10	0		AJAERN
CCC[C@H]1C[C@@H](CCC)[C@H](C)[C@@H](C)C1	ZINC000256172944	573357626	/nfs/dbraw/zinc/35/76/26/573357626.db2.gz	ZWELDUQWXJORPH-REWJHTLYSA-N	0	0	196.378	4.885	10	0		AJAERN
CC(C)=CCCC(C)(C)/C=C\Cl	ZINC000307858041	572658927	/nfs/dbraw/zinc/65/89/27/572658927.db2.gz	AOIJIBAXVFZYBA-HJWRWDBZSA-N	0	0	186.726	4.512	10	0		AJAERN
CCCC/C(C)=C(/Cl)CCCC	ZINC000584610155	346726589	/nfs/dbraw/zinc/72/65/89/346726589.db2.gz	RYEWWSOLZQYKAD-ZHACJKMWSA-N	0	0	188.742	4.880	10	0		AJAERN
CC=C=C(CC)[Si](C)(C)C(C)(C)C	ZINC000584621007	346731266	/nfs/dbraw/zinc/73/12/66/346731266.db2.gz	CQTDZGFENJDJNK-UHFFFAOYSA-N	0	0	196.410	4.546	10	0		AJAERN
C=C/C=C/CCC[C@@H]1CCC[C@H](C)C1	ZINC000713740272	572732056	/nfs/dbraw/zinc/73/20/56/572732056.db2.gz	SUEKDZZASHPUCM-OOPLNXAUSA-N	0	0	192.346	4.725	10	0		AJAERN
C=C/C=C\CCC[C@@H]1CCC[C@H](C)C1	ZINC000713740273	572732169	/nfs/dbraw/zinc/73/21/69/572732169.db2.gz	SUEKDZZASHPUCM-OQOSRZTISA-N	0	0	192.346	4.725	10	0		AJAERN
C=C/C=C\CCC[C@@H]1CCC[C@@H](C)C1	ZINC000713740274	572731814	/nfs/dbraw/zinc/73/18/14/572731814.db2.gz	SUEKDZZASHPUCM-UUSXEQNQSA-N	0	0	192.346	4.725	10	0		AJAERN
C=C/C=C/CC[C@@H]1CC[C@H](C)[C@@H](C)C1	ZINC000713741582	572735067	/nfs/dbraw/zinc/73/50/67/572735067.db2.gz	YOWWTWFCGRNIMC-IEFPBGJLSA-N	0	0	192.346	4.581	10	0		AJAERN
C=C/C=C\CC[C@@H]1CC[C@H](C)[C@@H](C)C1	ZINC000713741584	572736629	/nfs/dbraw/zinc/73/66/29/572736629.db2.gz	YOWWTWFCGRNIMC-LLHFJSKOSA-N	0	0	192.346	4.581	10	0		AJAERN
C=C/C=C/CC[C@@H]1CC[C@H](C)[C@H](C)C1	ZINC000713741586	572736601	/nfs/dbraw/zinc/73/66/01/572736601.db2.gz	YOWWTWFCGRNIMC-NXSDAKDHSA-N	0	0	192.346	4.581	10	0		AJAERN
C=C/C=C\CC[C@@H]1CC[C@H](C)[C@H](C)C1	ZINC000713741589	572733961	/nfs/dbraw/zinc/73/39/61/572733961.db2.gz	YOWWTWFCGRNIMC-ZPLUETSNSA-N	0	0	192.346	4.581	10	0		AJAERN
C=C/C=C\CCC1C[C@H](C)C[C@@H](C)C1	ZINC000713741606	572735012	/nfs/dbraw/zinc/73/50/12/572735012.db2.gz	YSTJWHSRYWLNKP-NTQVKLLNSA-N	0	0	192.346	4.581	10	0		AJAERN
C=C/C=C\CCC1C[C@H](C)C[C@H](C)C1	ZINC000713741607	572733981	/nfs/dbraw/zinc/73/39/81/572733981.db2.gz	YSTJWHSRYWLNKP-WVGJTDJUSA-N	0	0	192.346	4.581	10	0		AJAERN