smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CCC[C@H](C)[N@@H+]1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1	ZINC000013589401	211042591	/nfs/dbraw/zinc/04/25/91/211042591.db2.gz	DCIRDTIBHJXEGG-HDICACEKSA-N	1	1	358.485	5.777	1	30		FKEFMO
C#CC[N@@H+](Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1	ZINC000013807961	210143347	/nfs/dbraw/zinc/14/33/47/210143347.db2.gz	KEFBOBCOJZZLTJ-UHFFFAOYSA-N	1	1	364.492	5.325	1	30		FKEFMO
CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@H+](CCC)[C@@H]1C2	ZINC000014255113	211088581	/nfs/dbraw/zinc/08/85/81/211088581.db2.gz	QSCQOXMIFSONAX-GGAORHGYSA-N	1	1	372.553	5.044	1	30		FKEFMO
CCCCCC[N@@H+](C)[C@H](C)Cc1cc(OC)ccc1C#Cc1ccccc1	ZINC000027710845	210162861	/nfs/dbraw/zinc/16/28/61/210162861.db2.gz	RJUJJWQJDHOPPM-OAQYLSRUSA-N	1	1	363.545	5.538	1	30		FKEFMO
CC(C)[C@@H]1CCC[N@H+]1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1	ZINC000028901248	204891530	/nfs/dbraw/zinc/89/15/30/204891530.db2.gz	JITCFZZJUPHBRG-SANMLTNESA-N	1	1	368.524	6.041	1	30		FKEFMO
CCCCCCCCCOC(=O)[C@@H]1C[N@@H+](CC)CC=C1c1ccccc1	ZINC000034802091	208110872	/nfs/dbraw/zinc/11/08/72/208110872.db2.gz	LOZFSJRXJHXNTK-JOCHJYFZSA-N	1	1	357.538	5.316	1	30		FKEFMO
CCCCCCCCCCOC(=O)[C@H]1C[N@@H+](CC)CC=C1c1ccccc1	ZINC000034802096	208110531	/nfs/dbraw/zinc/11/05/31/208110531.db2.gz	RNRYJWQFMOEPCM-QHCPKHFHSA-N	1	1	371.565	5.706	1	30		FKEFMO
Cc1cc(NN=Cc2ccc(Cl)cc2)c2cc(C(F)(F)F)ccc2[nH+]1	ZINC000045191948	205117987	/nfs/dbraw/zinc/11/79/87/205117987.db2.gz	FKIBUAOCNHZRGD-AUEPDCJTSA-N	1	1	363.770	5.083	1	30		FKEFMO
CON=C1[C@@H]2CC(C)C[C@H]1[C@@H](c1ccccc1F)[NH2+][C@@H]2c1ccccc1F	ZINC000049032794	221018074	/nfs/dbraw/zinc/01/80/74/221018074.db2.gz	VLDQNJVVDNGNJN-YNTKUFNASA-N	1	1	370.443	5.015	1	30		FKEFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(=NO[C@@H](Cc1ccccc1)c1ccc(Cl)cc1)C2	ZINC000049035604	221017621	/nfs/dbraw/zinc/01/76/21/221017621.db2.gz	DYSNSNPTBCOPJB-BDTNDASRSA-N	1	1	368.908	5.253	1	30		FKEFMO
C=CC[C@H]1C=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC[N@@H+]1C	ZINC000049113398	221019436	/nfs/dbraw/zinc/01/94/36/221019436.db2.gz	MHROCVUJKBEOQM-NRFANRHFSA-N	1	1	373.475	5.546	1	30		FKEFMO
C=CC[C@@H]1C=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC[N@@H+]1C	ZINC000049113400	221019097	/nfs/dbraw/zinc/01/90/97/221019097.db2.gz	MHROCVUJKBEOQM-OAQYLSRUSA-N	1	1	373.475	5.546	1	30		FKEFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(=NO[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C2	ZINC000049525767	221025074	/nfs/dbraw/zinc/02/50/74/221025074.db2.gz	XIMUYEKYRAKSDP-BDTNDASRSA-N	1	1	368.908	5.253	1	30		FKEFMO
N#Cc1ccc(Nc2cc[nH+]c3ccc(-c4ccc(Cl)cc4)cc23)cc1	ZINC000058512403	212011935	/nfs/dbraw/zinc/01/19/35/212011935.db2.gz	VBCUFNWLUJXTRM-UHFFFAOYSA-N	1	1	355.828	6.170	1	30		FKEFMO
CON=C1[C@@H]2CCC[C@H]1[C@@H](c1ccccc1C)[N@H+](C)[C@H]2c1ccccc1C	ZINC000071319237	221342540	/nfs/dbraw/zinc/34/25/40/221342540.db2.gz	KUFZPJLVXRENOA-GXSHZHGVSA-N	1	1	362.517	5.450	1	30		FKEFMO
C=C[C@H]1C[N@@H+](CCCCC)CC[C@H]1CCC(=O)c1ccnc2ccccc21	ZINC000084672189	210234864	/nfs/dbraw/zinc/23/48/64/210234864.db2.gz	ANSINOAZEDRIJK-VQTJNVASSA-N	1	1	364.533	5.512	1	30		FKEFMO
C=C[C@H]1C[N@@H+](CCCC)CC[C@H]1CCC(=O)c1ccnc2ccccc21	ZINC000084687529	206804470	/nfs/dbraw/zinc/80/44/70/206804470.db2.gz	SRKGSQTUEVOKPT-RBUKOAKNSA-N	1	1	350.506	5.122	1	30		FKEFMO
C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2	ZINC000103227262	210108005	/nfs/dbraw/zinc/10/80/05/210108005.db2.gz	WDOKGNOTOAMJEX-ZBYYUNFXSA-N	1	1	369.455	5.252	1	30		FKEFMO
CCCCCCCCCCCCc1ccc(CC[N@H+]2CCC[C@H]2CO)cc1	ZINC000103275304	222330904	/nfs/dbraw/zinc/33/09/04/222330904.db2.gz	PNEOFQRNMJSTMT-VWLOTQADSA-N	1	1	373.625	6.149	1	30		FKEFMO
CCCCCCCCCC[N@H+]1CCC[C@@H](C(=O)N(CCC)CCC)C1	ZINC000169345693	206253266	/nfs/dbraw/zinc/25/32/66/206253266.db2.gz	SKWZMIRZELNHEN-OAQYLSRUSA-N	1	1	352.607	5.488	1	30		FKEFMO
C=C[C@@H]1[C@@H]2CC[C@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2C	ZINC000169354705	210175297	/nfs/dbraw/zinc/17/52/97/210175297.db2.gz	DJAAPGPGXVPSMP-CZYKHXBRSA-N	1	1	369.455	5.108	1	30		FKEFMO
Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(C)C)c1C	ZINC000008677128	207240778	/nfs/dbraw/zinc/24/07/78/207240778.db2.gz	HLNWXEIGPRHJFB-YQQQUEKLSA-N	1	1	359.583	5.043	3	30		FKEFMO