smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1csc(CN2CCCN(Cc3cnc(N4CCCCC4)nc3)CC2)c1	ZINC000218050988	526580642	/nfs/dbraw/zinc/58/06/42/526580642.db2.gz	ULLMWWDDMXSFAQ-UHFFFAOYSA-N	0	3	371.554	3.236	50	70		FGIAHN
O=C(c1ccccc1-c1ccccc1F)N1C[C@H](O)[C@@H](N2CCCCC2)C1	ZINC000218772594	206375483	/nfs/dbraw/zinc/37/54/83/206375483.db2.gz	KHNKTJMVQHFVHG-SFTDATJTSA-N	0	3	368.452	3.164	50	70		FGIAHN
C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(CN3CCCCC3)cs1)C2	ZINC000217480771	525851997	/nfs/dbraw/zinc/85/19/97/525851997.db2.gz	PCYFXKHLKSYVRG-INIZCTEOSA-N	0	3	374.554	3.390	50	70		FGIAHN
O=C(CCc1ccc(F)c(F)c1)N1CCCO[C@H](CN2CCCCC2)C1	ZINC000217081638	206362525	/nfs/dbraw/zinc/36/25/25/206362525.db2.gz	XIDJWJQSGGURBP-QGZVFWFLSA-N	0	3	366.452	3.001	50	70		FGIAHN
CCN1CCC[C@H]1CNC(=O)Cc1csc2nc(-c3ccccc3)cn12	ZINC000218482660	521655158	/nfs/dbraw/zinc/65/51/58/521655158.db2.gz	ZZEOTPQGINHWMB-INIZCTEOSA-N	0	3	368.506	3.206	50	70		FGIAHN
OCCn1nccc1C1CCN(Cc2cc(Cl)cc3cccnc32)CC1	ZINC000160563165	495992886	/nfs/dbraw/zinc/99/28/86/495992886.db2.gz	IJCLJOQJXNLRAE-UHFFFAOYSA-N	0	3	370.884	3.457	50	70		FGIAHN
CN(Cc1cc[nH]n1)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1	ZINC000217466494	523189680	/nfs/dbraw/zinc/18/96/80/523189680.db2.gz	ARPIQEJRSDSAHG-UHFFFAOYSA-N	0	3	360.461	3.240	50	70		FGIAHN
O=C(c1ccccc1OCCc1ccccc1)N1CCN2CCC[C@@H]2C1	ZINC000217098201	496994885	/nfs/dbraw/zinc/99/48/85/496994885.db2.gz	BFFURDNACCUNAU-LJQANCHMSA-N	0	3	350.462	3.228	50	70		FGIAHN
CSc1ccc(CC(=O)N2CCCO[C@@H](CN3CCCCC3)C2)cc1	ZINC000217771398	525983572	/nfs/dbraw/zinc/98/35/72/525983572.db2.gz	MZDBFACKLOKZDB-SFHVURJKSA-N	0	3	362.539	3.054	50	70		FGIAHN
O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1	ZINC000218578063	526466752	/nfs/dbraw/zinc/46/67/52/526466752.db2.gz	FNHAWUZXSSCSQH-NRFANRHFSA-N	0	3	366.509	3.176	50	70		FGIAHN
CN(Cc1ncc[nH]1)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1	ZINC000217839305	523580426	/nfs/dbraw/zinc/58/04/26/523580426.db2.gz	ASNNHOVAJNHRQW-UHFFFAOYSA-N	0	3	360.461	3.240	50	70		FGIAHN
O=C(c1ccccc1OCCc1ccccc1)N1CCN2CCC[C@H]2C1	ZINC000217098224	496994837	/nfs/dbraw/zinc/99/48/37/496994837.db2.gz	BFFURDNACCUNAU-IBGZPJMESA-N	0	3	350.462	3.228	50	70		FGIAHN
Cc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1	ZINC000218508610	497004068	/nfs/dbraw/zinc/00/40/68/497004068.db2.gz	OEBOUTFBIQPWPS-MRXNPFEDSA-N	0	3	370.415	3.387	50	70		FGIAHN
CN1CCC(C(=O)N2CC(Oc3ccccc3F)C2)(c2ccccc2)CC1	ZINC000217116991	496994329	/nfs/dbraw/zinc/99/43/29/496994329.db2.gz	CPSBVZHSIJETJB-UHFFFAOYSA-N	0	3	368.452	3.079	50	70		FGIAHN
Cn1ccnc1[C@@H]1CCCN(Cc2ccc(OCCn3ccnc3)cc2)C1	ZINC000217868286	527459651	/nfs/dbraw/zinc/45/96/51/527459651.db2.gz	MUNFYQFHTJJOFC-LJQANCHMSA-N	0	3	365.481	3.075	50	70		FGIAHN
O=C(CCc1ccc(F)c(F)c1)N1CCCO[C@@H](CN2CCCCC2)C1	ZINC000217081610	496994181	/nfs/dbraw/zinc/99/41/81/496994181.db2.gz	XIDJWJQSGGURBP-KRWDZBQOSA-N	0	3	366.452	3.001	50	70		FGIAHN
CCN1CCC[C@@H]1CNC(=O)Cc1csc2nc(-c3ccccc3)cn12	ZINC000218482577	521636302	/nfs/dbraw/zinc/63/63/02/521636302.db2.gz	ZZEOTPQGINHWMB-MRXNPFEDSA-N	0	3	368.506	3.206	50	70		FGIAHN
Cc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000218508527	497003636	/nfs/dbraw/zinc/00/36/36/497003636.db2.gz	OEBOUTFBIQPWPS-INIZCTEOSA-N	0	3	370.415	3.387	50	70		FGIAHN
COc1ccc(F)c(F)c1C(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000218292401	524285355	/nfs/dbraw/zinc/28/53/55/524285355.db2.gz	QPZKHHIZCSOFJH-UHFFFAOYSA-N	0	3	374.431	3.410	50	70		FGIAHN
C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(CN3CCCCC3)cs1)C2	ZINC000217480690	525863956	/nfs/dbraw/zinc/86/39/56/525863956.db2.gz	PCYFXKHLKSYVRG-MRXNPFEDSA-N	0	3	374.554	3.390	50	70		FGIAHN
Cc1ccc2c(c1)c(CNC(=O)C1CCN(Cc3ccco3)CC1)nn2C	ZINC000218295017	526216486	/nfs/dbraw/zinc/21/64/86/526216486.db2.gz	ZCUONIHAWLCQJW-UHFFFAOYSA-N	0	3	366.465	3.003	50	70		FGIAHN
CSc1ccc(CC(=O)N2CCCO[C@H](CN3CCCCC3)C2)cc1	ZINC000217771482	206365334	/nfs/dbraw/zinc/36/53/34/206365334.db2.gz	MZDBFACKLOKZDB-GOSISDBHSA-N	0	3	362.539	3.054	50	70		FGIAHN
Cn1ccnc1[C@H]1CCCN(Cc2ccc(OCCn3ccnc3)cc2)C1	ZINC000217868366	527468311	/nfs/dbraw/zinc/46/83/11/527468311.db2.gz	MUNFYQFHTJJOFC-IBGZPJMESA-N	0	3	365.481	3.075	50	70		FGIAHN
CN(Cc1cc2n(n1)CCCN(C[C@@H]1CC=CCC1)C2)Cc1cccnc1	ZINC000216647144	568133173	/nfs/dbraw/zinc/13/31/73/568133173.db2.gz	ITLZXHMBYZRKNW-LJQANCHMSA-N	0	3	365.525	3.472	50	70		FGIAHN
CC(C)c1cc(CN(C)C(=O)C2(c3ccccc3)CCN(C)CC2)no1	ZINC000218682726	497004554	/nfs/dbraw/zinc/00/45/54/497004554.db2.gz	ZLGGDSAJVCZOBD-UHFFFAOYSA-N	0	3	355.482	3.420	50	70		FGIAHN
COc1ccc2cc(CN(CCCO)Cc3ccc(F)cc3)c(=O)[nH]c2c1	ZINC000218752258	497004651	/nfs/dbraw/zinc/00/46/51/497004651.db2.gz	KSELTQMCUISLGH-UHFFFAOYSA-N	0	3	370.424	3.060	50	70		FGIAHN
Cc1ccccc1[C@@H](C(=O)N(C)Cc1cccc(CN(C)C)c1)N(C)C	ZINC000218216628	497001051	/nfs/dbraw/zinc/00/10/51/497001051.db2.gz	WBLVYAQWFFNCOM-NRFANRHFSA-N	0	3	353.510	3.318	50	70		FGIAHN
O=C([C@H]1CCCCN1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1	ZINC000218578140	526535355	/nfs/dbraw/zinc/53/53/55/526535355.db2.gz	FNHAWUZXSSCSQH-OAQYLSRUSA-N	0	3	366.509	3.176	50	70		FGIAHN
Cc1ccccc1[C@H](C(=O)N(C)Cc1cccc(CN(C)C)c1)N(C)C	ZINC000218216695	497000762	/nfs/dbraw/zinc/00/07/62/497000762.db2.gz	WBLVYAQWFFNCOM-OAQYLSRUSA-N	0	3	353.510	3.318	50	70		FGIAHN
Cc1n[nH]c(C)c1CCNC(=O)c1cccc(CN2CCCCCC2)c1	ZINC000217755418	526493551	/nfs/dbraw/zinc/49/35/51/526493551.db2.gz	RJZLXVLUNAHFHD-UHFFFAOYSA-N	0	3	354.498	3.375	50	70		FGIAHN