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(Cl)COc1nc2cc(F)ccc2cc1C[NH2+]CCn1cc[nH+]c1	ZINC000064151990	518651613	/nfs/dbraw/zinc/65/16/13/518651613.db2.gz	IJAAFTQRRSONQO-UHFFFAOYSA-N	2	2	360.820	3.492	50	30		FGEALP
CC[NH+](CC)c1ccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(=O)[nH]2)cc1	ZINC000013520530	494288524	/nfs/dbraw/zinc/28/85/24/494288524.db2.gz	NMAQJAORKXLJDN-UHFFFAOYSA-N	2	2	368.363	3.106	50	30		FGEALP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCCn4cc[nH+]c4)[C@H]3C[C@H]12	ZINC000012659872	494249597	/nfs/dbraw/zinc/24/95/97/494249597.db2.gz	GVQXMWUKRNTWTN-TWHPPBISSA-N	2	2	357.498	3.177	50	30		FGEALP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCCn4cc[nH+]c4)[C@H]3C[C@@H]12	ZINC000003984179	493860789	/nfs/dbraw/zinc/86/07/89/493860789.db2.gz	GVQXMWUKRNTWTN-GQUPQBGVSA-N	2	2	357.498	3.177	50	30		FGEALP
C[NH+]1CCN(C=[NH+]c2nc3c(c(-c4ccccc4)c2C#N)CCCC3)CC1	ZINC000252634650	497314297	/nfs/dbraw/zinc/31/42/97/497314297.db2.gz	WPVZDDWLNXMNKT-UHFFFAOYSA-N	2	2	359.477	3.406	50	30		FGEALP
N#Cc1ccnc(N2CCC([NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)CC2)c1	ZINC000095509368	132213025	/nfs/dbraw/zinc/21/30/25/132213025.db2.gz	RAASFXXUTKVHSR-NRFANRHFSA-N	2	2	372.476	3.150	50	30		FGEALP
Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1	ZINC000329722188	497879851	/nfs/dbraw/zinc/87/98/51/497879851.db2.gz	AYKZJJOEPSYRQT-INIZCTEOSA-N	2	2	371.485	3.260	50	30		FGEALP
OCCC#Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccs3)CC2)cc1	ZINC000952967039	762537305	/nfs/dbraw/zinc/53/73/05/762537305.db2.gz	YPVCJLWNLCHTCI-UHFFFAOYSA-N	2	2	354.519	3.236	50	30		FGEALP
CCN(CC)c1ccc(C=[NH+]N2CC[NH+](Cc3ccccc3)CC2)c(O)c1	ZINC000238923872	520889588	/nfs/dbraw/zinc/88/95/88/520889588.db2.gz	PVHZCSHYFDXMFE-UHFFFAOYSA-N	2	2	366.509	3.390	50	30		FGEALP
C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(-n4cc[nH+]c4)cc3)c12	ZINC000067975412	221311849	/nfs/dbraw/zinc/31/18/49/221311849.db2.gz	FWZCGJYQFBCZKO-MAUKXSAKSA-N	2	2	356.433	3.080	50	30		FGEALP
C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(-n4cc[nH+]c4)cc3)c12	ZINC000067975412	221311851	/nfs/dbraw/zinc/31/18/51/221311851.db2.gz	FWZCGJYQFBCZKO-MAUKXSAKSA-N	2	2	356.433	3.080	50	30		FGEALP
C[NH+]1CCN(/C=[NH+]/c2nc3c(c(-c4ccccc4)c2C#N)CCCC3)CC1	ZINC000002585234	204044583	/nfs/dbraw/zinc/04/45/83/204044583.db2.gz	WPVZDDWLNXMNKT-LFVJCYFKSA-N	2	2	359.477	3.406	50	30		FGEALP
N#Cc1ccnc(N2CCC([NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)CC2)c1	ZINC000095509367	132212784	/nfs/dbraw/zinc/21/27/84/132212784.db2.gz	RAASFXXUTKVHSR-OAQYLSRUSA-N	2	2	372.476	3.150	50	30		FGEALP
Cc1cc(C)c(C[NH+]2CCC(C)(C#N)CC2)cc1C[NH+]1CCN(C)CC1	ZINC000215656402	206350632	/nfs/dbraw/zinc/35/06/32/206350632.db2.gz	BLIUQCFMUWBQQA-UHFFFAOYSA-N	2	2	354.542	3.177	50	30		FGEALP
C=CCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCOCC2)cc1OCC	ZINC000004867782	493897521	/nfs/dbraw/zinc/89/75/21/493897521.db2.gz	ICRJAHQPCSZOEZ-UHFFFAOYSA-N	2	2	368.905	3.115	50	30		FGEALP
CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000330274514	568075658	/nfs/dbraw/zinc/07/56/58/568075658.db2.gz	KGDNYRVDZPHBQG-MSOLQXFVSA-N	2	2	361.534	3.464	50	30		FGEALP
CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C	ZINC000330274514	568075659	/nfs/dbraw/zinc/07/56/59/568075659.db2.gz	KGDNYRVDZPHBQG-MSOLQXFVSA-N	2	2	361.534	3.464	50	30		FGEALP
CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](Cc3ccccc3)CC2)c(O)c1	ZINC000019419368	263374802	/nfs/dbraw/zinc/37/48/02/263374802.db2.gz	PVHZCSHYFDXMFE-HAVVHWLPSA-N	2	2	366.509	3.390	50	30		FGEALP
OCC#Cc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)s1	ZINC000097729683	222207807	/nfs/dbraw/zinc/20/78/07/222207807.db2.gz	VFCURPUTXBFWRG-UHFFFAOYSA-N	2	2	366.530	3.115	50	30		FGEALP
OCC#Cc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)s1	ZINC000097729683	222207810	/nfs/dbraw/zinc/20/78/10/222207810.db2.gz	VFCURPUTXBFWRG-UHFFFAOYSA-N	2	2	366.530	3.115	50	30		FGEALP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCCn4cc[nH+]c4)[C@H]3C[C@H]12	ZINC000003984180	493860889	/nfs/dbraw/zinc/86/08/89/493860889.db2.gz	GVQXMWUKRNTWTN-DRJBRKBZSA-N	2	2	357.498	3.177	50	30		FGEALP
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1	ZINC000329722189	497879875	/nfs/dbraw/zinc/87/98/75/497879875.db2.gz	AYKZJJOEPSYRQT-MRXNPFEDSA-N	2	2	371.485	3.260	50	30		FGEALP
CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000330274515	568075653	/nfs/dbraw/zinc/07/56/53/568075653.db2.gz	KGDNYRVDZPHBQG-QZTJIDSGSA-N	2	2	361.534	3.464	50	30		FGEALP
CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C	ZINC000330274515	568075654	/nfs/dbraw/zinc/07/56/54/568075654.db2.gz	KGDNYRVDZPHBQG-QZTJIDSGSA-N	2	2	361.534	3.464	50	30		FGEALP
COc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C#N)n(C)c3C)CC2)cc1F	ZINC000057985132	221096779	/nfs/dbraw/zinc/09/67/79/221096779.db2.gz	CZRRRWGWTPZVQV-UHFFFAOYSA-N	2	2	370.472	3.107	50	30		FGEALP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCCn4cc[nH+]c4)[C@H]3C[C@@H]12	ZINC000012659870	220016549	/nfs/dbraw/zinc/01/65/49/220016549.db2.gz	GVQXMWUKRNTWTN-WVXKDWSHSA-N	2	2	357.498	3.177	50	30		FGEALP
Cc1ccccc1N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000004719484	493888886	/nfs/dbraw/zinc/88/88/86/493888886.db2.gz	NWAWSNMBLFCGMT-XSFVSMFZSA-N	2	2	353.426	3.101	50	30		FGEALP
C=C(Cl)Cn1c(=O)c(C[NH2+]CCCn2cc[nH+]c2)cc2ccc(F)cc21	ZINC000012242441	494216880	/nfs/dbraw/zinc/21/68/80/494216880.db2.gz	JQFQVMNMGYYARC-UHFFFAOYSA-N	2	2	374.847	3.270	50	30		FGEALP