smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1cc(Nc2ccc3[nH+]c(-c4ccc(F)cc4)cc(N)c3c2)nc(N)[nH+]1	ZINC000095573069	211277886	/nfs/dbraw/zinc/27/78/86/211277886.db2.gz	URACURIXLGNCDK-UHFFFAOYSA-N	2	1	388.450	4.862	1	0		GJAFMP
C[NH+](C)CCCc1c2ccccc2cnc1C[N@@H+](C)[C@H]1CCCc2cccnc21	ZINC000049113091	205127448	/nfs/dbraw/zinc/12/74/48/205127448.db2.gz	NCJXUQPGDDNZEA-DEOSSOPVSA-N	2	1	388.559	4.633	1	0		GJAFMP
CCc1c(C)[nH+]c2c(c1Nc1ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc1)CCCC2	ZINC000166689315	536070364	/nfs/dbraw/zinc/07/03/64/536070364.db2.gz	AWRXNUNJSQSZSP-KRWDZBQOSA-N	2	1	378.564	4.715	1	0		GJAFMP
Clc1ccc(Cl)c2[nH]c(C[NH2+]CCCNc3[nH]c4ccccc4[nH+]3)cc21	ZINC000045167608	205093392	/nfs/dbraw/zinc/09/33/92/205093392.db2.gz	BTZSEDIFQYYQQP-UHFFFAOYSA-N	2	1	388.302	4.943	1	0		GJAFMP
c1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)nc1	ZINC000028903462	204883080	/nfs/dbraw/zinc/88/30/80/204883080.db2.gz	BDWXFGZMHKOMCV-ILBGXUMGSA-N	2	1	391.559	4.619	1	0		GJAFMP
Cc1ccc([C@@]2(O)c3cc(Cl)ccc3[NH+]=C(C)N2CC[NH+]2CCCCC2)cc1	ZINC000072122725	205306345	/nfs/dbraw/zinc/30/63/45/205306345.db2.gz	BAKRJLKWGGXQFY-HSZRJFAPSA-N	2	1	397.950	4.693	1	0		GJAFMP
Cc1cccc(Cl)c1Nc1nc2cc(NCC[NH+](C)C)ccc2n2c[nH+]cc12	ZINC000013860333	207002041	/nfs/dbraw/zinc/00/20/41/207002041.db2.gz	SVKNMLIWRMWYEZ-UHFFFAOYSA-N	2	1	394.910	4.561	1	0		GJAFMP
CC1(C)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)[nH+]c4)CC4(CCCC4)C3)CC[C@@H]1[C@@H]([NH3+])C2	ZINC000085543205	291140726	/nfs/dbraw/zinc/14/07/26/291140726.db2.gz	XVWWINMUFSVYHR-NKGLDRCDSA-N	2	1	397.607	4.858	1	0	biogenic,in-vitro	GJAFMP
c1cc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)ccn1	ZINC000028903367	207350999	/nfs/dbraw/zinc/35/09/99/207350999.db2.gz	UYUUPTYHSLMCNS-LOSJGSFVSA-N	2	1	391.559	4.619	1	0		GJAFMP
Cc1ccc([C@]2(O)c3cc(Cl)ccc3[NH+]=C(C)N2CC[NH+]2CCCCC2)cc1	ZINC000072122724	222208482	/nfs/dbraw/zinc/20/84/82/222208482.db2.gz	BAKRJLKWGGXQFY-QHCPKHFHSA-N	2	1	397.950	4.693	1	0		GJAFMP
c1cncc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1	ZINC000028903442	207351849	/nfs/dbraw/zinc/35/18/49/207351849.db2.gz	CAISPEIKDAWTHS-LOSJGSFVSA-N	2	1	391.559	4.619	1	0		GJAFMP
C[NH2+]CCCCCC[N@H+]1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1	ZINC000013743911	221286630	/nfs/dbraw/zinc/28/66/30/221286630.db2.gz	VUYOCXNTVLFCAE-NRFANRHFSA-N	2	1	386.967	4.815	1	0		GJAFMP
COc1ccc2[nH+]c(N[C@@H]3C[C@H]4C[C@@H]([NH2+]Cc5ccsc5)[C@@H]3C4)cc(C)c2c1	ZINC000028950864	207350924	/nfs/dbraw/zinc/35/09/24/207350924.db2.gz	VQOMNSKUNPUMQB-DGEVVOEJSA-N	2	1	393.556	4.982	1	0		GJAFMP
Cc1[nH+]c2ccc(F)cc2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1C	ZINC000169354811	136197311	/nfs/dbraw/zinc/19/73/11/136197311.db2.gz	OGGREUDUNWRXNK-HNNXBMFYSA-N	2	1	378.495	4.875	1	0		GJAFMP
Fc1ccc2[nH]cc(CC[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)c2c1	ZINC000013743416	221287438	/nfs/dbraw/zinc/28/74/38/221287438.db2.gz	INONWLYRSOMOJD-UHFFFAOYSA-N	2	1	391.534	4.838	1	0		GJAFMP