smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@@H](O)CN(Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[n-]1)C(C)C	ZINC000036207420	569109739	/nfs/dbraw/zinc/10/97/39/569109739.db2.gz	TZKARFSORKHPEO-ZDUSSCGKSA-N	-1	3	411.524	2.076	10	0		HEAEHM
Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c1)NC(=O)CCC2=O	ZINC000033276568	559036375	/nfs/dbraw/zinc/03/63/75/559036375.db2.gz	PLUJIRNSMNEBJS-UHFFFAOYSA-N	-1	3	408.867	2.325	10	0		HEAEHM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]C[C@H]3CCCO3)cc21	ZINC000040450304	521155030	/nfs/dbraw/zinc/15/50/30/521155030.db2.gz	UXTSVGDMMCXFOL-GFCCVEGCSA-N	-1	3	417.325	2.206	10	0		HEAEHM
O=c1cc(-c2cccnc2)nc(-c2ccc(CN3CC(N4CCOCC4)C3)cc2)[n-]1	ZINC000048319739	568438084	/nfs/dbraw/zinc/43/80/84/568438084.db2.gz	JQWQGGBOKXSISV-UHFFFAOYSA-N	-1	3	403.486	2.015	10	0		HEAEHM
CCOC(=O)c1c2c(sc1NC(=O)C(=S)[N-]N1CCOCC1)CCCCC2	ZINC000020168286	558343059	/nfs/dbraw/zinc/34/30/59/558343059.db2.gz	RDFROJOZRLZJNR-UHFFFAOYSA-N	-1	3	411.549	2.296	10	0		HEAEHM
CCCN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)CC)ccc3n2)CC1	ZINC000032985162	558805498	/nfs/dbraw/zinc/80/54/98/558805498.db2.gz	PPKGYTRCUWILKW-UHFFFAOYSA-N	-1	3	406.508	2.227	10	0		HEAEHM
CCCN(Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1)C[C@@H](O)COCC	ZINC000036206694	569109558	/nfs/dbraw/zinc/10/95/58/569109558.db2.gz	FHOPGFAOMLIGOM-CYBMUJFWSA-N	-1	3	411.524	2.079	10	0		HEAEHM
CCOC[C@H](O)CN(Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1)C(C)C	ZINC000036206664	569109679	/nfs/dbraw/zinc/10/96/79/569109679.db2.gz	KJGIGCBRERECBV-CYBMUJFWSA-N	-1	3	411.524	2.078	10	0		HEAEHM
CCCCCCC(=O)CCCCCC/C=C\C[C@H](O)[C@@H](O)[C@](N)(CO)C(=O)[O-]	ZINC000390822471	569070134	/nfs/dbraw/zinc/07/01/34/569070134.db2.gz	ZZIKIHCNFWXKDY-ULWPSCAVSA-N	-1	3	401.544	2.309	10	0		HEAEHM
O=C([N-]c1ccccc1F)c1nnc([C@H]2CCCN2S(=O)(=O)c2c[nH]cn2)s1	ZINC000064941726	569127091	/nfs/dbraw/zinc/12/70/91/569127091.db2.gz	HIFMSEMHVZBMTG-GFCCVEGCSA-N	-1	3	422.467	2.178	10	0		HEAEHM
CCCN(Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1)C[C@H](O)COCC	ZINC000036206693	569109605	/nfs/dbraw/zinc/10/96/05/569109605.db2.gz	FHOPGFAOMLIGOM-ZDUSSCGKSA-N	-1	3	411.524	2.079	10	0		HEAEHM
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1O[C@H](n2cc(F)c(=O)[n-]c2=O)CS1	ZINC000022061634	568764561	/nfs/dbraw/zinc/76/45/61/568764561.db2.gz	SSEOQONVFXWSGU-KKVJTYSWSA-N	-1	3	400.472	2.268	10	0	in-vitro	HEAEHM
CC(=O)N1CCCN(CC[C@H]2CN(C(=O)c3cccs3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481093	291202865	/nfs/dbraw/zinc/20/28/65/291202865.db2.gz	BSKSIGJEKNPIHI-ROUUACIJSA-N	-1	3	421.563	2.245	10	0	biogenic	HEAEHM
Cc1ccc(Cn2c3n[n-]c(=O)n3c3cc(C(=O)NCC(C)C)ccc3c2=O)cc1	ZINC000013363171	569411974	/nfs/dbraw/zinc/41/19/74/569411974.db2.gz	VXHTWHGYTGZTME-UHFFFAOYSA-N	-1	3	405.458	2.080	10	0		HEAEHM
Cc1ccc(Cn2c3n[n-]c(=O)n3c3cc(C(=O)NC4CCCC4)ccc3c2=O)cc1	ZINC000013363161	569412008	/nfs/dbraw/zinc/41/20/08/569412008.db2.gz	ZVSAKDHULQSCQE-UHFFFAOYSA-N	-1	3	417.469	2.367	10	0		HEAEHM
CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@](N)(CO)C(=O)[O-]	ZINC000013515786	558536394	/nfs/dbraw/zinc/53/63/94/558536394.db2.gz	ZZIKIHCNFWXKDY-PJMUWQDTSA-N	-1	3	401.544	2.309	10	0	in-vitro	HEAEHM
COC[C@H](O)CN(Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[n-]1)C(C)C	ZINC000036207421	569109570	/nfs/dbraw/zinc/10/95/70/569109570.db2.gz	TZKARFSORKHPEO-CYBMUJFWSA-N	-1	3	411.524	2.076	10	0		HEAEHM
O=C([N-]c1ccccc1F)c1nnc([C@@H]2CCCN2S(=O)(=O)c2c[nH]cn2)s1	ZINC000064941722	569127064	/nfs/dbraw/zinc/12/70/64/569127064.db2.gz	HIFMSEMHVZBMTG-LBPRGKRZSA-N	-1	3	422.467	2.178	10	0		HEAEHM
CCOC[C@@H](O)CN(Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1)C(C)C	ZINC000036206665	569109719	/nfs/dbraw/zinc/10/97/19/569109719.db2.gz	KJGIGCBRERECBV-ZDUSSCGKSA-N	-1	3	411.524	2.078	10	0		HEAEHM
O=C(NC1CCCCC1)c1ccc2c(c1)n1c(=O)[n-]nc1n(Cc1ccccc1)c2=O	ZINC000013363157	569411949	/nfs/dbraw/zinc/41/19/49/569411949.db2.gz	BEZLOFSTZZFKEQ-UHFFFAOYSA-N	-1	3	417.469	2.448	10	0		HEAEHM
CCCCCCC(=O)CCCCCC/C=C\C[C@H](O)[C@@H](O)[C@@](N)(CO)C(=O)[O-]	ZINC000005189611	569060883	/nfs/dbraw/zinc/06/08/83/569060883.db2.gz	ZZIKIHCNFWXKDY-UQPFOEACSA-N	-1	3	401.544	2.309	10	0	biogenic	HEAEHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1	ZINC000021707019	568744538	/nfs/dbraw/zinc/74/45/38/568744538.db2.gz	GSJIDFKVXISGPN-MRXNPFEDSA-N	-1	3	407.536	2.359	10	0		HEAEHM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)cc21	ZINC000040450303	521155574	/nfs/dbraw/zinc/15/55/74/521155574.db2.gz	UXTSVGDMMCXFOL-LBPRGKRZSA-N	-1	3	417.325	2.206	10	0		HEAEHM
CC(C)NC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3ccccn3)CC2)C1	ZINC000020463436	560092967	/nfs/dbraw/zinc/09/29/67/560092967.db2.gz	UNGDLNMOEZSIPZ-OALUTQOASA-N	-1	3	417.554	2.125	10	0	biogenic	HEAEHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1	ZINC000021707020	568744553	/nfs/dbraw/zinc/74/45/53/568744553.db2.gz	GSJIDFKVXISGPN-INIZCTEOSA-N	-1	3	407.536	2.359	10	0		HEAEHM