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)NCC=C=Nc1ccccc1	1686951	342958466	/nfs/dbraw/zinc/95/84/66/342958466.db2.gz	VBQHFYKNSLUEFE-UHFFFAOYSA-N	0	3	188.274	2.542	40	30		AFEBHN
C#CCN[C@@H](C)c1ccc(Cl)cc1	19875448	166024148	/nfs/dbraw/zinc/02/41/48/166024148.db2.gz	AHDDVRWJMLWUQM-VIFPVBQESA-N	0	3	193.677	2.624	40	30		AFEBHN
C#CCN[C@@H](C)c1cccc(Cl)c1	19875645	166025473	/nfs/dbraw/zinc/02/54/73/166025473.db2.gz	GEBFAFCHVWEUFG-VIFPVBQESA-N	0	3	193.677	2.624	40	30		AFEBHN
C#CCN[C@H](C)c1ccc(Cl)cc1	19875447	166027219	/nfs/dbraw/zinc/02/72/19/166027219.db2.gz	AHDDVRWJMLWUQM-SECBINFHSA-N	0	3	193.677	2.624	40	30		AFEBHN
C#CCN[C@H](C)c1cccc(Cl)c1	19875644	166027536	/nfs/dbraw/zinc/02/75/36/166027536.db2.gz	GEBFAFCHVWEUFG-SECBINFHSA-N	0	3	193.677	2.624	40	30		AFEBHN
C#C[C@H](N(C)C)C(C)(C)CCCC	31613480	166040028	/nfs/dbraw/zinc/04/00/28/166040028.db2.gz	WCBDMDRUNWLPET-NSHDSACASA-N	0	3	181.323	2.766	40	30		AFEBHN
C/C(=N/C(C)C)c1ccccc1	100086633	166052228	/nfs/dbraw/zinc/05/22/28/166052228.db2.gz	AOXHWCPOATWTDN-BENRWUELSA-N	0	3	161.248	2.904	40	30		AFEBHN
C/C(=N\C(C)C)c1ccccc1	43463490	166052939	/nfs/dbraw/zinc/05/29/39/166052939.db2.gz	AOXHWCPOATWTDN-ZRDIBKRKSA-N	0	3	161.248	2.904	40	30		AFEBHN
CC(=NC(C)C)Nc1ccccc1	17122785	166056218	/nfs/dbraw/zinc/05/62/18/166056218.db2.gz	DFSSEWRTOAXOFX-UHFFFAOYSA-N	0	3	176.263	2.735	40	30		AFEBHN
C=C(C)CN[C@H](C)c1ccc(C)o1	49900490	166122987	/nfs/dbraw/zinc/12/29/87/166122987.db2.gz	ISMYLEMAHQGEJY-SNVBAGLBSA-N	0	3	179.263	2.815	40	30		AFEBHN
C=C(C)CN[C@@H](C)c1ccc(C)o1	49900491	166123181	/nfs/dbraw/zinc/12/31/81/166123181.db2.gz	ISMYLEMAHQGEJY-JTQLQIEISA-N	0	3	179.263	2.815	40	30		AFEBHN
C=CCN(CC=C)Cc1ccccc1	5283053	166175112	/nfs/dbraw/zinc/17/51/12/166175112.db2.gz	LAVWIZQBXPOEEM-UHFFFAOYSA-N	0	3	187.286	2.861	40	30		AFEBHN
C=CCNC/C(C)=C/c1ccccc1	71976843	166185349	/nfs/dbraw/zinc/18/53/49/166185349.db2.gz	XMNPHKNKYFDTGJ-ZRDIBKRKSA-N	0	3	187.286	2.866	40	30		AFEBHN
C=CCNCc1cccc(Cl)c1	6855919	166188551	/nfs/dbraw/zinc/18/85/51/166188551.db2.gz	MVRHDCCHFXHBFD-UHFFFAOYSA-N	0	3	181.666	2.616	40	30		AFEBHN
CC(C)(C)/N=C/c1ccc(O)cc1	3192963	166344004	/nfs/dbraw/zinc/34/40/04/166344004.db2.gz	RWAWXKNNWGZOTK-XYOKQWHBSA-N	0	3	177.247	2.610	40	30		AFEBHN
C[C@@H](CCNCCC#N)CC(C)(C)C	1687205	168339968	/nfs/dbraw/zinc/33/99/68/168339968.db2.gz	GSPJSOVZKKTUKP-NSHDSACASA-N	0	3	196.338	2.952	40	30		AFEBHN
CCC/N=C(\C)c1ccccc1	4262806	171012111	/nfs/dbraw/zinc/01/21/11/171012111.db2.gz	GHGJQFURKUFFGL-ZRDIBKRKSA-N	0	3	161.248	2.906	40	30		AFEBHN
CCCCCCCC(=O)CCN(C)C	100933439	171162756	/nfs/dbraw/zinc/16/27/56/171162756.db2.gz	ZMDFUADJORWCDF-UHFFFAOYSA-N	0	3	199.338	2.868	40	30		AFEBHN
C#C[C@@H](N(C)C)C(C)(C)CCCC	31613476	171211995	/nfs/dbraw/zinc/21/19/95/171211995.db2.gz	WCBDMDRUNWLPET-LLVKDONJSA-N	0	3	181.323	2.766	40	30		AFEBHN
CCCCC#CCN(CC)CC	2022361	342967159	/nfs/dbraw/zinc/96/71/59/342967159.db2.gz	OMWGPHFXSKPENS-UHFFFAOYSA-N	0	3	167.296	2.522	40	30		AFEBHN
CCCCCC#CCN(CC)CC	2022365	342967286	/nfs/dbraw/zinc/96/72/86/342967286.db2.gz	XYVHZKNNMVFQTR-UHFFFAOYSA-N	0	3	181.323	2.912	40	30		AFEBHN
CCc1cccc(NC2=NCCC2)c1	2638102	342979640	/nfs/dbraw/zinc/97/96/40/342979640.db2.gz	QAUPAHYLZMBXGZ-UHFFFAOYSA-N	0	3	188.274	2.662	40	30		AFEBHN
CCCCC(=O)/C=C/CN(CC)CC	6273161	343013733	/nfs/dbraw/zinc/01/37/33/343013733.db2.gz	OHOBZWOOJZOGKC-CSKARUKUSA-N	0	3	197.322	2.644	40	30		AFEBHN
C[C@H](CCNCCC#N)CC(C)(C)C	16892460	343044605	/nfs/dbraw/zinc/04/46/05/343044605.db2.gz	GSPJSOVZKKTUKP-LLVKDONJSA-N	0	3	196.338	2.952	40	30		AFEBHN
C(=N/C1CC1)\c1ccc2cc[nH]c2c1	78575627	351627497	/nfs/dbraw/zinc/62/74/97/351627497.db2.gz	ZNZGCIAHSXIOLA-RIYZIHGNSA-N	0	3	184.242	2.749	40	30		AFEBHN
C=C[C@H](N)c1cccc(Cl)c1	83119905	351643240	/nfs/dbraw/zinc/64/32/40/351643240.db2.gz	SOPUHYOEFODYNT-VIFPVBQESA-N	0	3	167.639	2.526	40	30		AFEBHN
C=C[C@@H](N)c1cccc(Cl)c1	83119906	351643620	/nfs/dbraw/zinc/64/36/20/351643620.db2.gz	SOPUHYOEFODYNT-SECBINFHSA-N	0	3	167.639	2.526	40	30		AFEBHN
C=C[C@@H](N)c1ccccc1Cl	83119900	519296260	/nfs/dbraw/zinc/29/62/60/519296260.db2.gz	JIYBBMVKDVQYPK-SECBINFHSA-N	0	3	167.639	2.526	40	30		AFEBHN
C=C[C@@H](N)c1ccc(Cl)cc1	83119924	519296604	/nfs/dbraw/zinc/29/66/04/519296604.db2.gz	BAXCOGNBMXIYCR-SECBINFHSA-N	0	3	167.639	2.526	40	30		AFEBHN
C=C[C@H](N)c1ccc(Cl)cc1	83119923	519300197	/nfs/dbraw/zinc/30/01/97/519300197.db2.gz	BAXCOGNBMXIYCR-VIFPVBQESA-N	0	3	167.639	2.526	40	30		AFEBHN
C=C[C@H](N)c1ccccc1Cl	83119899	519300771	/nfs/dbraw/zinc/30/07/71/519300771.db2.gz	JIYBBMVKDVQYPK-VIFPVBQESA-N	0	3	167.639	2.526	40	30		AFEBHN
CCCCCC(C)(C)NCCC#N	228946292	519944302	/nfs/dbraw/zinc/94/43/02/519944302.db2.gz	FZINIGKYNKLRJO-UHFFFAOYSA-N	0	3	182.311	2.849	40	30		AFEBHN