smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCN(CCC)C(=O)c1c2ncc(C)n2c2ncccc2c1N1CCN(C)CC1	ZINC000001856424	132248242	/nfs/dbraw/zinc/24/82/42/132248242.db2.gz	GMDGCIWQQCLCEH-UHFFFAOYSA-N	0	1	408.550	3.205	1	0		HGAFMN
Cc1ccc2c(cccc2N2CCN(CCc3cc4c(cc3F)OCC(=O)N4)CC2)n1	ZINC000003959329	132269572	/nfs/dbraw/zinc/26/95/72/132269572.db2.gz	WIGOHQYSKWOHPH-UHFFFAOYSA-N	0	1	420.488	3.378	1	0		HGAFMN
Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCCCC2)n1	ZINC000036425143	581091397	/nfs/dbraw/zinc/09/13/97/581091397.db2.gz	SMVZXLAGKOPTKM-UHFFFAOYSA-N	0	1	407.923	3.399	1	0		HGAFMN
C[C@@]1(Cc2ccc3ccccc3c2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O	ZINC000085593557	291241417	/nfs/dbraw/zinc/24/14/17/291241417.db2.gz	PXZFOFGXTMDMMS-RDGATRHJSA-N	0	1	418.445	3.441	1	0	biogenic,in-vitro	HGAFMN
COc1ccc(C(=O)C(=C(O)C(=O)Nc2nccs2)c2ccc(OC)cc2)cc1	ZINC000102915899	559153501	/nfs/dbraw/zinc/15/35/01/559153501.db2.gz	UPSWIRQXQLGRDS-KRWDZBQOSA-N	0	1	410.451	3.335	1	0		HGAFMN
Cc1ccc(O)cc1Nc1cc(N2CCN(C)CC2)nc(-n2cnc3ccccc32)n1	ZINC000028604151	581092801	/nfs/dbraw/zinc/09/28/01/581092801.db2.gz	QBHKYEDKYFZJRF-UHFFFAOYSA-N	0	1	415.501	3.325	1	0		HGAFMN
CCC[N@H+]1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1	ZINC000028570038	581097499	/nfs/dbraw/zinc/09/74/99/581097499.db2.gz	YEVWEVZCZZLCDV-UHFFFAOYSA-N	0	1	422.504	3.211	1	0		HGAFMN
CC(=O)[C@@H]1c2oc3c4c(cc(O)c3c(=O)c2C[C@@H]2[C@H]1C(=O)OC2(C)C)OC(C)(C)C=C4	ZINC000095099012	291232562	/nfs/dbraw/zinc/23/25/62/291232562.db2.gz	JOYMAWFVFLOFKF-XOKHGSTOSA-N	0	1	424.449	3.479	1	0	biogenic,in-vitro	HGAFMN
COc1cc(O)c2c(=O)cc(-c3c(OC)c(OC)c(OC)c(OC)c3OC)oc2c1	ZINC000015271468	291238509	/nfs/dbraw/zinc/23/85/09/291238509.db2.gz	QGDNIOFJAUCAMW-UHFFFAOYSA-N	0	1	418.398	3.217	1	0	biogenic,in-vitro	HGAFMN
COc1cc(=O)c2c(O)cc(-c3c(OC)c(OC)c(OC)c(OC)c3OC)oc-2c1	ZINC000015271468	291238510	/nfs/dbraw/zinc/23/85/10/291238510.db2.gz	QGDNIOFJAUCAMW-UHFFFAOYSA-N	0	1	418.398	3.217	1	0	biogenic,in-vitro	HGAFMN
COc1ccc(C(=O)C(=C(O)C(=O)Nc2nccs2)c2ccc(OC)cc2)cc1	ZINC000102915901	559153445	/nfs/dbraw/zinc/15/34/45/559153445.db2.gz	UPSWIRQXQLGRDS-QGZVFWFLSA-N	0	1	410.451	3.335	1	0		HGAFMN
CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1	ZINC000038225843	581096148	/nfs/dbraw/zinc/09/61/48/581096148.db2.gz	DWEHMLBGRQZUJA-UHFFFAOYSA-N	0	1	423.586	3.388	1	0		HGAFMN
Cc1ccc2c(cccc2N2CCN(CCc3cc(F)c4c(c3)NC(=O)CO4)CC2)n1	ZINC000003959332	132269540	/nfs/dbraw/zinc/26/95/40/132269540.db2.gz	PRYHARAEUCUVIY-UHFFFAOYSA-N	0	1	420.488	3.378	1	0		HGAFMN
NS(=O)(=O)N1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1	ZINC000049112713	581098953	/nfs/dbraw/zinc/09/89/53/581098953.db2.gz	KQAVUCRLPGIYGA-UHFFFAOYSA-N	0	1	417.922	3.175	1	0		HGAFMN
CN1CCN(c2ccc3[nH]c(-c4c(N)c5c(Cl)cccc5[nH]c4=O)nc3c2)CC1	ZINC000040952773	581099992	/nfs/dbraw/zinc/09/99/92/581099992.db2.gz	HWEVEQFMAGTKGM-UHFFFAOYSA-N	0	1	408.893	3.059	1	0		HGAFMN
COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1	ZINC000028764148	132227582	/nfs/dbraw/zinc/22/75/82/132227582.db2.gz	RJNTXRMRYBQFCQ-UHFFFAOYSA-N	0	1	413.562	3.307	1	0		HGAFMN
C[C@@]1(CC2=Cc3ccccc3CC2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O	ZINC000085593550	291241431	/nfs/dbraw/zinc/24/14/31/291241431.db2.gz	LXXYILJNUFZGEL-RDGATRHJSA-N	0	1	420.461	3.465	1	0	biogenic,in-vitro	HGAFMN
COc1ccccc1N1CCN(CCCCNC(=O)c2cc(-c3ccco3)n[nH]2)CC1	ZINC000013679125	581096096	/nfs/dbraw/zinc/09/60/96/581096096.db2.gz	LPYJYJNIIRKQSC-UHFFFAOYSA-N	0	1	423.517	3.011	1	0		HGAFMN
COc1ccc(/C=C/COc2ccccc2C(=O)[O-])cc1Cc1c[nH+]c(N)nc1N	ZINC000029249192	581096087	/nfs/dbraw/zinc/09/60/87/581096087.db2.gz	DINWCFBBTDJSMT-SNAWJCMRSA-N	0	1	406.442	3.031	1	0		HGAFMN
Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)cc2nc(-c3ccco3)nn21	ZINC000028383573	581095969	/nfs/dbraw/zinc/09/59/69/581095969.db2.gz	MOLYVNPFVBFSRV-CQSZACIVSA-N	0	1	424.896	3.091	1	0		HGAFMN
Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1ccccc1N1CCN(C)CC1)CO2	ZINC000004911477	132293660	/nfs/dbraw/zinc/29/36/60/132293660.db2.gz	RHLFFEDYLGIMGC-UHFFFAOYSA-N	0	1	417.513	3.141	3	0		HGAFMN
CN(CCc1cnc[nH]1)C(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4	ZINC000028570932	581099492	/nfs/dbraw/zinc/09/94/92/581099492.db2.gz	RELCWZCJWRFMJX-UHFFFAOYSA-N	0	1	413.481	3.091	1	0		HGAFMN
CC(=O)n1c(=O)oc(CCN2CCN(c3ccccc3)CC2)c1-c1ccc(F)cc1	ZINC000026295577	534960304	/nfs/dbraw/zinc/96/03/04/534960304.db2.gz	JPPWDXMUCJUVPJ-UHFFFAOYSA-N	0	1	409.461	3.272	1	0		HGAFMN