smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[Si](C)(C)CCc1ccc(N)cc1	204559989	533589873	/nfs/dbraw/zinc/58/98/73/533589873.db2.gz	QENZLPBXUQYNKR-UHFFFAOYSA-N	0	0	193.366	3.150	50	10	in-vitro	AGCARN
Oc1ccc(NCc2ccccc2)cc1	153232	342928546	/nfs/dbraw/zinc/92/85/46/342928546.db2.gz	SRYYOKKLTBRLHT-UHFFFAOYSA-N	0	0	199.253	3.004	50	10		AGCARN
CCCCCCOc1ccc(N)cc1	1670233	342955988	/nfs/dbraw/zinc/95/59/88/342955988.db2.gz	DJRKHTCUXRGYEU-UHFFFAOYSA-N	0	0	193.290	3.228	50	10	in-vitro	AGCARN
CCCCCCc1ccc(N)cc1	2010291	342966502	/nfs/dbraw/zinc/96/65/02/342966502.db2.gz	OVEMTTZEBOCJDV-UHFFFAOYSA-N	0	0	177.291	3.392	50	10	in-vitro	AGCARN
Cc1ccc(/N=N/c2ncc[nH]2)cc1	71404336	343552569	/nfs/dbraw/zinc/55/25/69/343552569.db2.gz	LOIZASNBZZOZHA-BUHFOSPRSA-N	0	0	186.218	3.134	50	10		AGCARN
CC(C)(C)N=NC(C)(C)C	254311559	166360451	/nfs/dbraw/zinc/36/04/51/166360451.db2.gz	GKCPCPKXFGQXGS-UHFFFAOYSA-N	0	0	142.246	3.036	50	10		AGCARN
CC(C)c1cc(O)c(O)c(C(C)C)c1	404367	166629305	/nfs/dbraw/zinc/62/93/05/166629305.db2.gz	VMYLKGAEBQHVPE-UHFFFAOYSA-N	0	0	194.274	3.345	50	10		AGCARN
CC1(C)[C@@H]2CC[C@@]1(C)C(=S)C2	2028342	166699651	/nfs/dbraw/zinc/69/96/51/166699651.db2.gz	AAADKYXUTOBAGS-XCBNKYQSSA-N	0	0	168.305	3.203	50	10	in-vivo	AGCARN
CCCCCc1ccc(N)cc1	2166826	166878773	/nfs/dbraw/zinc/87/87/73/166878773.db2.gz	DGFTWBUZRHAHTH-UHFFFAOYSA-N	0	0	163.264	3.002	50	10	in-vitro	AGCARN
CCC[C@@H](C)COc1ccc(N)cc1	14630115	167030024	/nfs/dbraw/zinc/03/00/24/167030024.db2.gz	FGSDHKXYJLPGEH-SNVBAGLBSA-N	0	0	193.290	3.084	50	10	in-vitro	AGCARN
CCC[C@H](C)COc1ccc(N)cc1	14630117	167069037	/nfs/dbraw/zinc/06/90/37/167069037.db2.gz	FGSDHKXYJLPGEH-JTQLQIEISA-N	0	0	193.290	3.084	50	10	in-vitro	AGCARN
Cc1ccc(C)n1-c1cccc(F)c1	8413423	168806427	/nfs/dbraw/zinc/80/64/27/168806427.db2.gz	WSZMMKRHLWEHTD-UHFFFAOYSA-N	0	0	189.233	3.233	50	10	in-vitro	AGCARN
Cc1ccc(C)n1-c1ccc(F)cc1	4054617	168806559	/nfs/dbraw/zinc/80/65/59/168806559.db2.gz	AIWFQKZWZOYVMK-UHFFFAOYSA-N	0	0	189.233	3.233	50	10	in-vitro	AGCARN
Cc1ccc(C)n1-c1ccccc1F	8413503	168806865	/nfs/dbraw/zinc/80/68/65/168806865.db2.gz	BFSXBLWSHDADPC-UHFFFAOYSA-N	0	0	189.233	3.233	50	10	in-vitro	AGCARN
Cc1cccc(-n2c(C)ccc2C)c1	1100171	168860878	/nfs/dbraw/zinc/86/08/78/168860878.db2.gz	CLWZTXHNHAJBQD-UHFFFAOYSA-N	0	0	185.270	3.403	50	10		AGCARN
Nc1ccc(CCc2ccccc2)cc1	1728033	169291957	/nfs/dbraw/zinc/29/19/57/169291957.db2.gz	ZRPMISJEZSOSQC-UHFFFAOYSA-N	0	0	197.281	3.054	50	10		AGCARN
Nc1ccc(NC2CCCCC2)cc1	8701104	169293103	/nfs/dbraw/zinc/29/31/03/169293103.db2.gz	UZARQBVTRHEUOB-UHFFFAOYSA-N	0	0	190.290	3.013	50	10	in-vitro	AGCARN
Nc1ccc(Oc2ccccc2)cc1	240989	169293187	/nfs/dbraw/zinc/29/31/87/169293187.db2.gz	WOYZXEVUWXQVNV-UHFFFAOYSA-N	0	0	185.226	3.061	50	10	in-vitro	AGCARN
Nc1ccc(Nc2ccccc2)cc1	136186	169293320	/nfs/dbraw/zinc/29/33/20/169293320.db2.gz	ATGUVEKSASEFFO-UHFFFAOYSA-N	0	0	184.242	3.012	50	10	aggregator,in-vitro	AGCARN
Nc1ccccc1NC1CCCCC1	1440341	169298642	/nfs/dbraw/zinc/29/86/42/169298642.db2.gz	YQACKMXMLJSWFM-UHFFFAOYSA-N	0	0	190.290	3.013	50	10		AGCARN
O=C1CCCCCCCCCCC1=O	2385011	169370433	/nfs/dbraw/zinc/37/04/33/169370433.db2.gz	OWWQGTRAKKFTAM-UHFFFAOYSA-N	0	0	196.290	3.039	50	10		AGCARN
[N-]=[N+]=NCCCC(=O)c1cccs1	75483975	169469245	/nfs/dbraw/zinc/46/92/45/169469245.db2.gz	XLMMBQOVMOYHMG-UHFFFAOYSA-N	0	0	195.247	3.021	50	10		AGCARN
Oc1ccc(C2CCCCC2)cc1O	1672131	171215229	/nfs/dbraw/zinc/21/52/29/171215229.db2.gz	CHPDWZOITMMWOU-UHFFFAOYSA-N	0	0	192.258	3.146	50	10		AGCARN
Cc1ccc(Oc2ccc(N)cc2)cc1	292018	342932894	/nfs/dbraw/zinc/93/28/94/342932894.db2.gz	VPCGOYHSWIYEMO-UHFFFAOYSA-N	0	0	199.253	3.370	50	10	in-vitro	AGCARN
Cc1cccc(Oc2ccc(N)cc2)c1	335309	342933979	/nfs/dbraw/zinc/93/39/79/342933979.db2.gz	GYVLOVTVJKXIGZ-UHFFFAOYSA-N	0	0	199.253	3.370	50	10		AGCARN
Cc1ccccc1Oc1ccc(N)cc1	335312	342934062	/nfs/dbraw/zinc/93/40/62/342934062.db2.gz	JPCCVWJJMUIBJR-UHFFFAOYSA-N	0	0	199.253	3.370	50	10	in-vitro	AGCARN
CC1(C)Nc2cccc3cccc(c23)N1	392955	342936659	/nfs/dbraw/zinc/93/66/59/342936659.db2.gz	DETLTZYXZWIXIB-UHFFFAOYSA-N	0	0	198.269	3.413	50	10		AGCARN
Cc1ccc(C)n1Cc1ccccc1	977615	342942588	/nfs/dbraw/zinc/94/25/88/342942588.db2.gz	RNXMFQXZASNQHV-UHFFFAOYSA-N	0	0	185.270	3.153	50	10	in-vitro	AGCARN
Cc1ccc(C)n1-c1ccccc1	1635571	342953323	/nfs/dbraw/zinc/95/33/23/342953323.db2.gz	JNXIFVSGXLGULI-UHFFFAOYSA-N	0	0	171.243	3.094	50	10		AGCARN
CN(C)c1ccc(C=C2C=CC=C2)cc1	1730570	342963004	/nfs/dbraw/zinc/96/30/04/342963004.db2.gz	FIXQBRDVPNLSGD-UHFFFAOYSA-N	0	0	197.281	3.262	50	10		AGCARN
Cc1ccc(-n2c(C)ccc2C)cc1	2285903	342971363	/nfs/dbraw/zinc/97/13/63/342971363.db2.gz	SWIUPUUNVWDJED-UHFFFAOYSA-N	0	0	185.270	3.403	50	10		AGCARN
CNc1ccc(Nc2ccccc2)cc1	5329171	343001111	/nfs/dbraw/zinc/00/11/11/343001111.db2.gz	GYXXGCCWYRAYGT-UHFFFAOYSA-N	0	0	198.269	3.472	50	10		AGCARN
CCCCN/N=N/c1ccc(C)cc1	6655532	343015510	/nfs/dbraw/zinc/01/55/10/343015510.db2.gz	DBHFMKOBJOOXCA-UHFFFAOYSA-N	0	0	191.278	3.383	50	10		AGCARN
C=Cc1ccc(N(CC)CC)cc1	33951770	343108154	/nfs/dbraw/zinc/10/81/54/343108154.db2.gz	CBZMQWPBAUBAPO-UHFFFAOYSA-N	0	0	175.275	3.176	50	10		AGCARN
Oc1ccccc1CNc1ccccc1	400523	351279017	/nfs/dbraw/zinc/27/90/17/351279017.db2.gz	RPHPKMUPELFCMC-UHFFFAOYSA-N	0	0	199.253	3.004	50	10	in-vitro	AGCARN
c1coc(CSc2nccs2)c1	2576101	351312974	/nfs/dbraw/zinc/31/29/74/351312974.db2.gz	DZZDZLUKNFXMCC-UHFFFAOYSA-N	0	0	197.284	3.028	50	10		AGCARN
c1ccc(/N=N/c2ccc[nH]2)cc1	18021302	351383484	/nfs/dbraw/zinc/38/34/84/351383484.db2.gz	AVOVOVHRXURMSS-OUKQBFOZSA-N	0	0	171.203	3.430	50	10		AGCARN
O=C1C=CC(=NNc2ccncc2)C=C1	39390999	351502200	/nfs/dbraw/zinc/50/22/00/351502200.db2.gz	BCBHUOGPSRNKLW-BUHFOSPRSA-N	0	0	199.213	3.203	50	10		AGCARN
CC(C)(C)CCc1ccc(N)cc1	144635399	351747434	/nfs/dbraw/zinc/74/74/34/351747434.db2.gz	HMCOWTGXTHSFMI-UHFFFAOYSA-N	0	0	177.291	3.248	50	10		AGCARN