smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCCCNc1cccc(C)n1	379525384	538413468	/nfs/dbraw/zinc/41/34/68/538413468.db2.gz	GCTLTNRLMBGISH-UHFFFAOYSA-N	0	1	190.290	3.158	20	30		AGEDMN
C=C(Cl)C[N@H+]1CCC2(CCCC2)C1	307710089	673921179	/nfs/dbraw/zinc/92/11/79/673921179.db2.gz	ONNAUCLMLXGWBK-UHFFFAOYSA-N	0	1	199.725	3.005	20	30		AGEDMN
CCCCCCCN(C)[C@@H](C)CC#N	109133958	573822294	/nfs/dbraw/zinc/82/22/94/573822294.db2.gz	YCYSZJFCWVULFB-LBPRGKRZSA-N	0	1	196.338	3.191	20	30		AGEDMN
C=C(CC)COc1cc(C)nc(C)c1	681359805	487018999	/nfs/dbraw/zinc/01/89/99/487018999.db2.gz	RDLBNCNYAULILL-UHFFFAOYSA-N	0	1	191.274	3.043	20	30		AGEDMN
C=CCCCOc1cc(C)nc(C)c1	681359856	487019040	/nfs/dbraw/zinc/01/90/40/487019040.db2.gz	WDEXRPCLFKJGQI-UHFFFAOYSA-N	0	1	191.274	3.043	20	30		AGEDMN
C=CCCCCCN1CCC=C(F)C1	683786037	487097860	/nfs/dbraw/zinc/09/78/60/487097860.db2.gz	WYYHHNOXRWAWBD-UHFFFAOYSA-N	0	1	197.297	3.292	20	30		AGEDMN
C=CCCNc1ccnc(C)c1Cl	306753417	487166103	/nfs/dbraw/zinc/16/61/03/487166103.db2.gz	JJZAZYVCEAIDLP-UHFFFAOYSA-N	0	1	196.681	3.031	20	30		AGEDMN
C=CCCCCCON=C(N)CCC	783030136	582886333	/nfs/dbraw/zinc/88/63/33/582886333.db2.gz	UAFUMYMWICDBQI-UHFFFAOYSA-N	0	1	198.310	3.031	20	30		AGEDMN
C=C(Cl)CN(C)CCC(C)(C)C	829929081	583065222	/nfs/dbraw/zinc/06/52/22/583065222.db2.gz	QQAZBECXRVCPIJ-UHFFFAOYSA-N	0	1	189.730	3.107	20	30		AGEDMN
C=CCN(CC(=C)Cl)C(C)(C)C	852553940	583208976	/nfs/dbraw/zinc/20/89/76/583208976.db2.gz	WQDUYHHGAJKDBI-UHFFFAOYSA-N	0	1	187.714	3.025	20	30		AGEDMN
C=CCCCCNc1cc(C)ccn1	308513815	491109659	/nfs/dbraw/zinc/10/96/59/491109659.db2.gz	UBSDVQCKGXRYHJ-UHFFFAOYSA-N	0	1	190.290	3.158	20	30		AGEDMN
C=C(Cl)CN(CCCC)C1CC1	388378580	697956194	/nfs/dbraw/zinc/95/61/94/697956194.db2.gz	HLRWRDQQUOBMFS-UHFFFAOYSA-N	0	1	187.714	3.003	20	30		AGEDMN
C=C(Cl)CN[C@@H](C)c1ccccc1	37488669	166135459	/nfs/dbraw/zinc/13/54/59/166135459.db2.gz	YHEYBJXULXRNIF-JTQLQIEISA-N	0	1	195.693	3.090	20	30		AGEDMN
C=C(Cl)CN[C@H](C)c1ccccc1	37488670	166137036	/nfs/dbraw/zinc/13/70/36/166137036.db2.gz	YHEYBJXULXRNIF-SNVBAGLBSA-N	0	1	195.693	3.090	20	30		AGEDMN
CCCCCCCCN(C)CCC#N	59089304	171185299	/nfs/dbraw/zinc/18/52/99/171185299.db2.gz	HIENWOQZWFKIRK-UHFFFAOYSA-N	0	1	196.338	3.192	20	30		AGEDMN
CCCC[C@@H](CC)CN(C)CCC#N	43455086	343252382	/nfs/dbraw/zinc/25/23/82/343252382.db2.gz	RZDNFYAEAQDVAP-GFCCVEGCSA-N	0	1	196.338	3.048	20	30		AGEDMN
CCCC[C@H](CC)CN(C)CCC#N	43455088	343252606	/nfs/dbraw/zinc/25/26/06/343252606.db2.gz	RZDNFYAEAQDVAP-LBPRGKRZSA-N	0	1	196.338	3.048	20	30		AGEDMN
CCC(CC)C[N@@H+](CCC#N)C(C)C	148681378	344057858	/nfs/dbraw/zinc/05/78/58/344057858.db2.gz	KZKVIJMHGPMCLQ-UHFFFAOYSA-N	0	1	196.338	3.047	20	30		AGEDMN
C[C@@H](CC#N)N(C)CCCC(C)(C)C	300771873	344994947	/nfs/dbraw/zinc/99/49/47/344994947.db2.gz	HRBJXIJFWJAQHF-NSHDSACASA-N	0	1	196.338	3.047	20	30		AGEDMN
CCN(CCC#N)CCCC(C)(C)C	300771855	344994971	/nfs/dbraw/zinc/99/49/71/344994971.db2.gz	HKFZFVZSNMGFRC-UHFFFAOYSA-N	0	1	196.338	3.048	20	30		AGEDMN
C[C@H](CC#N)N(C)CCCC(C)(C)C	300771872	344995098	/nfs/dbraw/zinc/99/50/98/344995098.db2.gz	HRBJXIJFWJAQHF-LLVKDONJSA-N	0	1	196.338	3.047	20	30		AGEDMN
C=CC(C)(C)CNc1cc(C)ccn1	307253541	345925005	/nfs/dbraw/zinc/92/50/05/345925005.db2.gz	VNWHKXXQSULKOX-UHFFFAOYSA-N	0	1	190.290	3.014	20	30		AGEDMN
C=C[C@@H](C)Nc1ccnc(C)c1Cl	307502692	346077819	/nfs/dbraw/zinc/07/78/19/346077819.db2.gz	OATNCFDDEPUACG-SSDOTTSWSA-N	0	1	196.681	3.030	20	30		AGEDMN
C=C[C@H](C)Nc1ccnc(C)c1Cl	307502696	346077846	/nfs/dbraw/zinc/07/78/46/346077846.db2.gz	OATNCFDDEPUACG-ZETCQYMHSA-N	0	1	196.681	3.030	20	30		AGEDMN
CCC(C)(C)CCN(C)[C@@H](C)CC#N	610728957	347029713	/nfs/dbraw/zinc/02/97/13/347029713.db2.gz	ZOVIEFKKAUFYJP-NSHDSACASA-N	0	1	196.338	3.047	20	30		AGEDMN
CCC(C)(C)CCN(C)[C@H](C)CC#N	610728956	347029969	/nfs/dbraw/zinc/02/99/69/347029969.db2.gz	ZOVIEFKKAUFYJP-LLVKDONJSA-N	0	1	196.338	3.047	20	30		AGEDMN
C=CCN(C)[C@H](C)c1ccccc1F	613465259	347060199	/nfs/dbraw/zinc/06/01/99/347060199.db2.gz	WBIGYHUBZBQZAU-SNVBAGLBSA-N	0	1	193.265	3.005	20	30		AGEDMN
C=CCN(C)[C@@H](C)c1ccccc1F	613465258	347060347	/nfs/dbraw/zinc/06/03/47/347060347.db2.gz	WBIGYHUBZBQZAU-JTQLQIEISA-N	0	1	193.265	3.005	20	30		AGEDMN
C=CC(C)(C)CNc1cccc(C)n1	307433743	409643719	/nfs/dbraw/zinc/64/37/19/409643719.db2.gz	LDAYMXFXHJCOSC-UHFFFAOYSA-N	0	1	190.290	3.014	20	30		AGEDMN
CCCCCCCN(C)[C@H](C)CC#N	109133962	630971089	/nfs/dbraw/zinc/97/10/89/630971089.db2.gz	YCYSZJFCWVULFB-GFCCVEGCSA-N	0	1	196.338	3.191	20	30		AGEDMN
CCCCCCCN(C)C[C@@H](C)C#N	88239560	631159576	/nfs/dbraw/zinc/15/95/76/631159576.db2.gz	SNJKIWVIXGYRPP-LBPRGKRZSA-N	0	1	196.338	3.048	20	30		AGEDMN
CCCCCCCN(C)C[C@H](C)C#N	88239561	631159681	/nfs/dbraw/zinc/15/96/81/631159681.db2.gz	SNJKIWVIXGYRPP-GFCCVEGCSA-N	0	1	196.338	3.048	20	30		AGEDMN