smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1NC(NC#N)=[NH+][C@H](NC(=O)Cc1ccccc1)C(C)(C)C	ZINC000040423596	205065261	/nfs/dbraw/zinc/06/52/61/205065261.db2.gz	ZWNQHCCEMQRCSF-FQEVSTJZSA-N	1	2	377.492	3.565	1	30		GHEFLO
Cc1ccc(/C(=N/O)N2CCCCC2)c(Oc2ccc(-n3cc[nH+]c3)cc2)n1	ZINC000072182993	205318091	/nfs/dbraw/zinc/31/80/91/205318091.db2.gz	VYMRPKLBZUSSJT-GFMRDNFCSA-N	1	2	377.448	3.990	1	30		GHEFLO
N#Cc1c2nnc(C[NH+]3CCCC3)n2ccc1N1CCC(c2ccccc2)CC1	ZINC000095578015	136182165	/nfs/dbraw/zinc/18/21/65/136182165.db2.gz	CXEDABSBOIDRFN-UHFFFAOYSA-N	1	2	386.503	3.581	1	30		GHEFLO
O=C(c1cccc(C#CCc2ccccc2)c1)N1CCN(c2cccc[nH+]2)CC1	ZINC000066251819	206226501	/nfs/dbraw/zinc/22/65/01/206226501.db2.gz	JYRNMJXVVCDCKZ-UHFFFAOYSA-N	1	2	381.479	3.638	1	30		GHEFLO
CC#Cc1cc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)cs1	ZINC000028641575	206255256	/nfs/dbraw/zinc/25/52/56/206255256.db2.gz	BOUXCDDYKRZYGC-UHFFFAOYSA-N	1	2	388.540	3.828	1	30		GHEFLO
CC#Cc1cc(-c2n[nH]c3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)cs1	ZINC000028641575	206255262	/nfs/dbraw/zinc/25/52/62/206255262.db2.gz	BOUXCDDYKRZYGC-UHFFFAOYSA-N	1	2	388.540	3.828	1	30		GHEFLO
CC#Cc1cc(-c2n[nH]c3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)cs1	ZINC000028641575	206255267	/nfs/dbraw/zinc/25/52/67/206255267.db2.gz	BOUXCDDYKRZYGC-UHFFFAOYSA-N	1	2	388.540	3.828	1	30		GHEFLO
CC#Cc1cc(-c2[nH]nc3c2Cc2cc(C[NH+]4CCN(C)CC4)ccc2-3)cs1	ZINC000028641575	206255271	/nfs/dbraw/zinc/25/52/71/206255271.db2.gz	BOUXCDDYKRZYGC-UHFFFAOYSA-N	1	2	388.540	3.828	1	30		GHEFLO
CCOC(=O)C1=C(C)Oc2[nH+]c3c(c(N)c2[C@@H]1c1ccc(C#N)cc1)CCCC3	ZINC000013837577	207002153	/nfs/dbraw/zinc/00/21/53/207002153.db2.gz	VYGAJVSROJLUQQ-LJQANCHMSA-N	1	2	389.455	3.776	1	30		GHEFLO
Cc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C#Cc1ccccc1	ZINC000066252245	206225961	/nfs/dbraw/zinc/22/59/61/206225961.db2.gz	COFRHXMGMXVWDH-UHFFFAOYSA-N	1	2	381.479	3.752	1	30		GHEFLO
C=CC[N@@H+](C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2	ZINC000027323976	206254380	/nfs/dbraw/zinc/25/43/80/206254380.db2.gz	GSUOCDNZJCWLIN-UHFFFAOYSA-N	1	2	377.879	3.890	1	30		GHEFLO
C=CC[N@H+](C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2	ZINC000027323976	206254384	/nfs/dbraw/zinc/25/43/84/206254384.db2.gz	GSUOCDNZJCWLIN-UHFFFAOYSA-N	1	2	377.879	3.890	1	30		GHEFLO
CCCCN(CC)c1[nH+]c(C)nc2c1NC(=O)CN2c1ccc(C#N)cc1C	ZINC000014975080	207036351	/nfs/dbraw/zinc/03/63/51/207036351.db2.gz	OKNDTLFCOOQXBL-UHFFFAOYSA-N	1	2	378.480	3.682	1	30		GHEFLO
CC[NH+]=C(Nc1ccc(C#N)c(C(F)(F)F)c1)[C@]1(C)C=C(C(F)(F)F)NN1	ZINC000028821060	207349752	/nfs/dbraw/zinc/34/97/52/207349752.db2.gz	GQIZGAPVUDOSCA-AWEZNQCLSA-N	1	2	391.319	3.887	1	30		GHEFLO
CO/[NH+]=C/c1c(N)ncnc1Nc1ccc2c(ccn2Cc2cccc(F)c2)c1	ZINC000029044437	581096252	/nfs/dbraw/zinc/09/62/52/581096252.db2.gz	DGVCIMUJVPVQEX-KBKYJPHKSA-N	1	2	390.422	3.925	1	30		GHEFLO
C=CCc1c2cc(Cl)ccc2n(C2N=NC(=S)N[C@@H]2[NH3+])c1-c1ccccc1	ZINC000169346620	209185101	/nfs/dbraw/zinc/18/51/01/209185101.db2.gz	IWGOAZKMYHZKFK-SFHVURJKSA-N	1	2	395.919	3.614	1	30		GHEFLO
Cc1ccc(C#Cc2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)cc1	ZINC000066251818	209135811	/nfs/dbraw/zinc/13/58/11/209135811.db2.gz	QYACSSZGOLMJTL-UHFFFAOYSA-N	1	2	381.479	3.752	1	30		GHEFLO
C=CCc1c2cc(Cl)ccc2n(C2N=NC(=S)N[C@H]2[NH3+])c1-c1ccccc1	ZINC000169346621	212113462	/nfs/dbraw/zinc/11/34/62/212113462.db2.gz	IWGOAZKMYHZKFK-GOSISDBHSA-N	1	2	395.919	3.614	1	30		GHEFLO
CSc1nn(-c2ccccc2)c2ncnc(N[NH+]=Cc3ccc(N)cc3)c12	ZINC000084687613	222319720	/nfs/dbraw/zinc/31/97/20/222319720.db2.gz	GEQGYQJBBMZASU-FOKLQQMPSA-N	1	2	375.461	3.566	1	30		GHEFLO
C#CC[NH2+][C@@H](C)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2	ZINC000027312059	212107390	/nfs/dbraw/zinc/10/73/90/212107390.db2.gz	XVWXOCFOBNWULG-AWEZNQCLSA-N	1	2	375.863	3.556	1	30		GHEFLO
O/N=C1\CCc2cc(-c3cc(C[NH+]4CCOCC4)oc3-c3ccncc3)ccc21	ZINC000013974295	221294781	/nfs/dbraw/zinc/29/47/81/221294781.db2.gz	YXUHCEFKIVTBRQ-YYDJUVGSSA-N	1	2	389.455	3.965	1	30		GHEFLO
C=CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2csc(C)n2)CC1	ZINC000062241922	222065579	/nfs/dbraw/zinc/06/55/79/222065579.db2.gz	QOCVFDFVIYEUGD-UHFFFAOYSA-N	1	2	376.913	3.665	1	30		GHEFLO