smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1	ZINC000328767226	663365567	/nfs/dbraw/zinc/36/55/67/663365567.db2.gz	FPZJXZBLMSCLEO-QWHCGFSZSA-N	1	2	353.448	0.327	40	30		FCEBLO
N#CC1C(=O)NC(N2CCN(C(=O)c3ccco3)CC2)=[NH+]C12CCCC2	ZINC000010382061	206279336	/nfs/dbraw/zinc/27/93/36/206279336.db2.gz	RRAGATLCANVWOY-CYBMUJFWSA-N	1	2	355.398	0.976	40	30		FCEBLO
CCc1nnc(N[NH+]=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1N	ZINC000408973798	490354147	/nfs/dbraw/zinc/35/41/47/490354147.db2.gz	BSNZZSRTAGEWIL-LICLKQGHSA-N	1	2	360.378	0.745	40	30		FCEBLO
COCCNC(=O)[C@@H]1CN(C(=O)c2cccc(C#N)c2)Cc2c[nH+]cn21	ZINC000585095788	491719445	/nfs/dbraw/zinc/71/94/45/491719445.db2.gz	KYWLUQVVPIXSGW-INIZCTEOSA-N	1	2	353.382	0.714	40	30		FCEBLO
O=C([C@H](O)CO)[C@H](O)C(=CNNc1ccccc1)[NH2+]Nc1ccccc1	ZINC000005047798	534380523	/nfs/dbraw/zinc/38/05/23/534380523.db2.gz	BZVNQJMWJJOFFB-JSMHZFJCSA-N	1	2	358.398	0.627	40	30		FCEBLO
CN(NC=C([NH2+]Nc1ccccc1)[C@H](O)C(=O)[C@H](O)CO)c1ccccc1	ZINC000006178431	229146652	/nfs/dbraw/zinc/14/66/52/229146652.db2.gz	UVWWDYHTEVCQAT-AXMVCVBNSA-N	1	2	372.425	0.652	40	30		FCEBLO
O=C([C@H](O)CO)[C@@H](O)C(=CNNc1ccccc1)[NH2+]Nc1ccccc1	ZINC000102454382	527585886	/nfs/dbraw/zinc/58/58/86/527585886.db2.gz	BZVNQJMWJJOFFB-HLKNDZICSA-N	1	2	358.398	0.627	40	30		FCEBLO
C=CCNC(=O)N1CCC(O)(c2csc(C[N@H+]3CC[C@@H](O)C3)n2)CC1	ZINC000225465567	206118842	/nfs/dbraw/zinc/11/88/42/206118842.db2.gz	VJZGPTHGLBUOTC-CYBMUJFWSA-N	1	2	366.487	0.889	40	30	biogenic,in-vitro	FCEBLO
C=CCNC(=O)N1CCC(O)(c2csc(C[N@@H+]3CC[C@@H](O)C3)n2)CC1	ZINC000225465567	206118849	/nfs/dbraw/zinc/11/88/49/206118849.db2.gz	VJZGPTHGLBUOTC-CYBMUJFWSA-N	1	2	366.487	0.889	40	30	biogenic,in-vitro	FCEBLO
CN(NC=C([NH2+]Nc1ccccc1)[C@H](O)C(=O)[C@H](O)CO)c1ccccc1	ZINC000006178434	229146948	/nfs/dbraw/zinc/14/69/48/229146948.db2.gz	UVWWDYHTEVCQAT-RLDHZVPRSA-N	1	2	372.425	0.652	40	30		FCEBLO
O=C([C@H](O)CO)[C@@H](O)C(=CNNc1ccccc1)[NH2+]Nc1ccccc1	ZINC000018180699	534379797	/nfs/dbraw/zinc/37/97/97/534379797.db2.gz	BZVNQJMWJJOFFB-SWZWJJTLSA-N	1	2	358.398	0.627	40	30		FCEBLO
C=CC[NH+]1CCN(c2ccncc2S(=O)(=O)N2CCN(C)CC2)CC1	ZINC000001566410	132373572	/nfs/dbraw/zinc/37/35/72/132373572.db2.gz	ZJHAHFRBRGYLQB-UHFFFAOYSA-N	1	2	365.503	0.326	40	30		FCEBLO
COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1S(=O)(=O)c1ccc(C#N)cc1	ZINC000015676559	487583430	/nfs/dbraw/zinc/58/34/30/487583430.db2.gz	JCQCDCBRCICZRZ-AWEZNQCLSA-N	1	2	360.395	0.580	40	30	biogenic,in-vitro	FCEBLO
CNC(=O)[C@H]1COC2(CN(C(=O)c3cccc(C#N)c3)C2)C[N@@H+]1CC1CC1	ZINC000575404485	491552693	/nfs/dbraw/zinc/55/26/93/491552693.db2.gz	NAKSABDSEOXOSC-QGZVFWFLSA-N	1	2	368.437	0.610	40	30		FCEBLO
CNC(=O)[C@H]1COC2(CN(C(=O)c3cccc(C#N)c3)C2)C[N@H+]1CC1CC1	ZINC000575404485	491552695	/nfs/dbraw/zinc/55/26/95/491552695.db2.gz	NAKSABDSEOXOSC-QGZVFWFLSA-N	1	2	368.437	0.610	40	30		FCEBLO
O=C([C@H](O)CO)[C@@H](O)C(=CNNc1ccccc1)[NH2+]Nc1ccccc1	ZINC000018180705	534380269	/nfs/dbraw/zinc/38/02/69/534380269.db2.gz	BZVNQJMWJJOFFB-VSPQDLKZSA-N	1	2	358.398	0.627	40	30		FCEBLO
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)ON1C(=O)CCC1=O	ZINC000100362571	518836558	/nfs/dbraw/zinc/83/65/58/518836558.db2.gz	PJCDVYXHWYYSSC-JTQLQIEISA-N	1	2	352.347	0.453	40	30		FCEBLO
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)ON1C(=O)CCC1=O	ZINC000100362571	518836567	/nfs/dbraw/zinc/83/65/67/518836567.db2.gz	PJCDVYXHWYYSSC-JTQLQIEISA-N	1	2	352.347	0.453	40	30		FCEBLO
C=CCOC[C@H]1c2c([nH+]cn2C)CCN1S(=O)(=O)c1cn(C)cn1	ZINC000096187710	526817603	/nfs/dbraw/zinc/81/76/03/526817603.db2.gz	OSMRSAFOZSZDIZ-ZDUSSCGKSA-N	1	2	351.432	0.644	40	30		FCEBLO
N#CC1C(=O)NC(N2CCN(C(=O)c3ccco3)CC2)=[NH+]C12CCCC2	ZINC000010382057	487533765	/nfs/dbraw/zinc/53/37/65/487533765.db2.gz	RRAGATLCANVWOY-ZDUSSCGKSA-N	1	2	355.398	0.976	40	30		FCEBLO
CC(C)Nc1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)CC#N)CC2	ZINC000096083850	132218840	/nfs/dbraw/zinc/21/88/40/132218840.db2.gz	RJCLZZVVVWUPBF-UHFFFAOYSA-N	1	2	358.446	0.974	40	30		FCEBLO
CNC(=O)[C@@H]1COC2(CN(C(=O)c3cccc(C#N)c3)C2)C[N@@H+]1CC1CC1	ZINC000575404484	491552633	/nfs/dbraw/zinc/55/26/33/491552633.db2.gz	NAKSABDSEOXOSC-KRWDZBQOSA-N	1	2	368.437	0.610	40	30		FCEBLO
CNC(=O)[C@@H]1COC2(CN(C(=O)c3cccc(C#N)c3)C2)C[N@H+]1CC1CC1	ZINC000575404484	491552634	/nfs/dbraw/zinc/55/26/34/491552634.db2.gz	NAKSABDSEOXOSC-KRWDZBQOSA-N	1	2	368.437	0.610	40	30		FCEBLO
C[NH+](C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000575424607	491553965	/nfs/dbraw/zinc/55/39/65/491553965.db2.gz	UNEZISXWKQBKTP-AWEZNQCLSA-N	1	2	371.484	0.298	40	30		FCEBLO
CCS(=O)(=O)N1CC[C@@]2(CN(C)/C(=[NH+]/c3ccccc3)O2)[C@@H](O)C1	ZINC000257212767	229283311	/nfs/dbraw/zinc/28/33/11/229283311.db2.gz	CEWVDSNMKXKKDX-HFSVEIIISA-N	1	2	353.444	0.791	40	30		FCEBLO
C[NH+](C)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000575424610	491553741	/nfs/dbraw/zinc/55/37/41/491553741.db2.gz	UNEZISXWKQBKTP-CQSZACIVSA-N	1	2	371.484	0.298	40	30		FCEBLO
O=C([C@H](O)CO)[C@@H](O)C(=CNNc1ccccc1)[NH2+]Nc1ccccc1	ZINC000102454379	527584733	/nfs/dbraw/zinc/58/47/33/527584733.db2.gz	BZVNQJMWJJOFFB-NWWKSOOCSA-N	1	2	358.398	0.627	40	30		FCEBLO
COCCNC(=O)[C@H]1CN(C(=O)c2cccc(C#N)c2)Cc2c[nH+]cn21	ZINC000585095789	491719300	/nfs/dbraw/zinc/71/93/00/491719300.db2.gz	KYWLUQVVPIXSGW-MRXNPFEDSA-N	1	2	353.382	0.714	40	30		FCEBLO
CN(NC=C([NH2+]Nc1ccccc1)[C@@H](O)C(=O)[C@H](O)CO)c1ccccc1	ZINC000006178437	229147409	/nfs/dbraw/zinc/14/74/09/229147409.db2.gz	UVWWDYHTEVCQAT-LFYPNSJVSA-N	1	2	372.425	0.652	40	30		FCEBLO
O=C([C@H](O)CO)[C@H](O)C(=CNNc1ccccc1)[NH2+]Nc1ccccc1	ZINC000005047796	534379870	/nfs/dbraw/zinc/37/98/70/534379870.db2.gz	BZVNQJMWJJOFFB-MDHKXMTISA-N	1	2	358.398	0.627	40	30		FCEBLO
NS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1	ZINC000328767224	663365202	/nfs/dbraw/zinc/36/52/02/663365202.db2.gz	FPZJXZBLMSCLEO-CHWSQXEVSA-N	1	2	353.448	0.327	40	30		FCEBLO
CN(C)c1ccc(C=[NH+]Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1	ZINC000031628446	220641945	/nfs/dbraw/zinc/64/19/45/220641945.db2.gz	WCNJCOKWSOBXAF-ZDLGFXPLSA-N	1	2	355.402	0.483	40	30		FCEBLO
CN(NC=C([NH2+]Nc1ccccc1)[C@@H](O)C(=O)[C@H](O)CO)c1ccccc1	ZINC000006178440	229146921	/nfs/dbraw/zinc/14/69/21/229146921.db2.gz	UVWWDYHTEVCQAT-TXUZXXMVSA-N	1	2	372.425	0.652	40	30		FCEBLO
CN(NC=C([NH2+]Nc1ccccc1)[C@H](O)C(=O)[C@@H](O)CO)c1ccccc1	ZINC000016188784	229148793	/nfs/dbraw/zinc/14/87/93/229148793.db2.gz	UVWWDYHTEVCQAT-NHXQAUBXSA-N	1	2	372.425	0.652	40	30		FCEBLO
CN(NC=C([NH2+]Nc1ccccc1)[C@H](O)C(=O)[C@@H](O)CO)c1ccccc1	ZINC000016188780	229149347	/nfs/dbraw/zinc/14/93/47/229149347.db2.gz	UVWWDYHTEVCQAT-NIWVTAJBSA-N	1	2	372.425	0.652	40	30		FCEBLO
O=C([C@H](O)CO)[C@@H](O)C(=CNNc1ccccc1)[NH2+]Nc1ccccc1	ZINC000015922352	527585746	/nfs/dbraw/zinc/58/57/46/527585746.db2.gz	BZVNQJMWJJOFFB-TYACIDQOSA-N	1	2	358.398	0.627	40	30		FCEBLO
C=CCOC[C@@H]1c2c([nH+]cn2C)CCN1S(=O)(=O)c1cn(C)cn1	ZINC000096187711	526802620	/nfs/dbraw/zinc/80/26/20/526802620.db2.gz	OSMRSAFOZSZDIZ-CYBMUJFWSA-N	1	2	351.432	0.644	40	30		FCEBLO