smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1ccc(NN=Cc2cccc(C=[NH+]Nc3ccc(Cl)c(Cl)c3)c2)cc1Cl	ZINC000012311640	526954912	/nfs/dbraw/zinc/95/49/12/526954912.db2.gz	QHDQMJCHFPIAGY-KOZSXFMUSA-N	1	2	452.172	7.192	10	30		JKEELO
CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)c1[nH+]c(N)c(C#N)c(N)c1[C@@H]2c1ccccc1Cl	ZINC000096336127	130073232	/nfs/dbraw/zinc/07/32/32/130073232.db2.gz	BEYOASJZDSKWKS-OAQYLSRUSA-N	1	2	484.991	5.393	10	30		JKEELO
CCOc1ccc2nc(SCC(=[NH2+])NOC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)sc2c1	ZINC000020177667	555683472	/nfs/dbraw/zinc/68/34/72/555683472.db2.gz	MWUBYFBEAGEPCE-CYBMUJFWSA-N	1	2	480.011	5.032	10	30		JKEELO
O[C@@H](C[NH+](Cc1cccc(OC(F)(F)F)c1)Cc1cccc(OC(F)(F)F)c1)C(F)(F)F	ZINC000043888792	563171280	/nfs/dbraw/zinc/17/12/80/563171280.db2.gz	XFXPUWOLCHWDGB-INIZCTEOSA-N	1	2	477.323	5.409	10	30		JKEELO
Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H]([NH+]3CCOCC3)/C2=N\c2c(C)cc(C)cc2C)cc1	ZINC000015729260	524918089	/nfs/dbraw/zinc/91/80/89/524918089.db2.gz	ZAOPMBJDWWQLFF-MMZFVREHSA-N	1	2	459.634	5.648	10	30		JKEELO
N#Cc1ccc(C(=O)N2CC[NH+](C[C@@H](OCc3c(F)cccc3F)c3ccc(Cl)cc3)CC2)cc1	ZINC000023435274	556058018	/nfs/dbraw/zinc/05/80/18/556058018.db2.gz	VVTIEGQDALFDJY-AREMUKBSSA-N	1	2	495.957	5.206	10	30		JKEELO
CCCCCCCCc1ccc(-c2ccc(-c3cn(/N=C\c4ccccc4)c(N)[nH+]3)cc2)cc1	ZINC000101409252	569797039	/nfs/dbraw/zinc/79/70/39/569797039.db2.gz	RRKXWROIBQLBJI-JDCMOKTRSA-N	1	2	450.630	7.585	10	30		JKEELO
Cc1cc(O)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2c1C(=O)/C(=C/c1cccs1)O2	ZINC000041585246	525315893	/nfs/dbraw/zinc/31/58/93/525315893.db2.gz	CUGANIPEOJMCCG-HMAPJEAMSA-N	1	2	466.990	5.354	10	30		JKEELO
O=C(/N=C1/[NH+]=C2C=CC=CN2Cc2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1	ZINC000015906316	527660948	/nfs/dbraw/zinc/66/09/48/527660948.db2.gz	YDZIMWJTRCHKDC-WGPBWIAQSA-N	1	2	457.455	6.257	10	30		JKEELO
O=C1/C(=N\c2ccc(F)c(C(F)(F)F)c2)c2ccccc2N1C[NH+]1CCC(Cc2ccccc2)CC1	ZINC000015225561	526949330	/nfs/dbraw/zinc/94/93/30/526949330.db2.gz	DAIYFTGUNSEHNJ-MKFPQRGTSA-N	1	2	495.520	6.224	10	30		JKEELO
N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccccc1	ZINC000029211435	563098574	/nfs/dbraw/zinc/09/85/74/563098574.db2.gz	JAUARQFUHQYXHN-UHFFFAOYSA-N	1	2	497.986	5.098	10	30		JKEELO
Cc1ccc([C@@H]2c3c(N)c(C#N)c(N)[nH+]c3N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000096336130	130073186	/nfs/dbraw/zinc/07/31/86/130073186.db2.gz	UWSLPOMWYJBQGB-QFIPXVFZSA-N	1	2	464.573	5.048	10	30		JKEELO
CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)c1[nH+]c(N)c(C#N)c(N)c1[C@H]2c1ccccc1Cl	ZINC000096336126	130073200	/nfs/dbraw/zinc/07/32/00/130073200.db2.gz	BEYOASJZDSKWKS-NRFANRHFSA-N	1	2	484.991	5.393	10	30		JKEELO
CCOc1ccc2nc(SCC(=[NH2+])NOC(=O)[C@H](C)Oc3ccc(Cl)cc3C)sc2c1	ZINC000020177670	555683423	/nfs/dbraw/zinc/68/34/23/555683423.db2.gz	MWUBYFBEAGEPCE-ZDUSSCGKSA-N	1	2	480.011	5.032	10	30		JKEELO
N#Cc1ccc(C(=O)N2CC[NH+](C[C@H](OCc3c(F)cccc3F)c3ccc(Cl)cc3)CC2)cc1	ZINC000023435270	556058073	/nfs/dbraw/zinc/05/80/73/556058073.db2.gz	VVTIEGQDALFDJY-SANMLTNESA-N	1	2	495.957	5.206	10	30		JKEELO
O[C@H](C[NH+](Cc1cccc(OC(F)(F)F)c1)Cc1cccc(OC(F)(F)F)c1)C(F)(F)F	ZINC000043888795	563171203	/nfs/dbraw/zinc/17/12/03/563171203.db2.gz	XFXPUWOLCHWDGB-MRXNPFEDSA-N	1	2	477.323	5.409	10	30		JKEELO
Cc1ccc([C@H]2c3c(N)c(C#N)c(N)[nH+]c3N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000096336131	130073221	/nfs/dbraw/zinc/07/32/21/130073221.db2.gz	UWSLPOMWYJBQGB-JOCHJYFZSA-N	1	2	464.573	5.048	10	30		JKEELO
O=C(NCc1ccccc1)c1ccc(N/C=[NH+]/c2ccc(C(=O)NCc3ccccc3)cc2)cc1	ZINC000016479997	526737237	/nfs/dbraw/zinc/73/72/37/526737237.db2.gz	IKAUVFONQZMXGW-UHFFFAOYSA-N	1	2	462.553	5.319	10	30		JKEELO