smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1CSCC(=O)NC1CCN(C)CC1	ZINC000216928328	370192108	/nfs/dbraw/zinc/19/21/08/370192108.db2.gz	OPEHQVBBPKMGPO-UHFFFAOYSA-N	0	3	292.448	2.439	40	70		CEIBHN
COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(C)C2)c1	ZINC000216907132	394452896	/nfs/dbraw/zinc/45/28/96/394452896.db2.gz	SMUTXHNIMGKHNL-CYBMUJFWSA-N	0	3	290.363	2.062	40	70		CEIBHN
CN1CCC[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000216909916	262341927	/nfs/dbraw/zinc/34/19/27/262341927.db2.gz	GSQCEVHUQBKTNS-UZZMVUAXSA-N	0	3	276.424	2.413	40	70		CEIBHN
CCOc1ccc(C(=O)NC2CCN(C)CC2)cc1C	ZINC000216842833	262341345	/nfs/dbraw/zinc/34/13/45/262341345.db2.gz	SWMLTMPJTDNCOZ-UHFFFAOYSA-N	0	3	276.380	2.218	40	70		CEIBHN
COc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1	ZINC000216922832	370191622	/nfs/dbraw/zinc/19/16/22/370191622.db2.gz	HTWLTVUFOMWWKE-LBPRGKRZSA-N	0	3	276.380	2.214	40	70		CEIBHN
CN1CCC(CC(=O)NCCSC(C)(C)C)CC1	ZINC000216893912	394452699	/nfs/dbraw/zinc/45/26/99/394452699.db2.gz	GBMCQKMLYKVMEN-UHFFFAOYSA-N	0	3	272.458	2.366	40	70		CEIBHN
Cc1ccc(CCCNC(=O)C2CCN(C)CC2)cc1	ZINC000216922009	370192419	/nfs/dbraw/zinc/19/24/19/370192419.db2.gz	HDTAHJFKDVFQDB-UHFFFAOYSA-N	0	3	274.408	2.386	40	70		CEIBHN
COc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1	ZINC000216922810	370191811	/nfs/dbraw/zinc/19/18/11/370191811.db2.gz	HTWLTVUFOMWWKE-GFCCVEGCSA-N	0	3	276.380	2.214	40	70		CEIBHN
CN1CCC(CC(=O)NCCCOC2CCCC2)CC1	ZINC000216903651	394452778	/nfs/dbraw/zinc/45/27/78/394452778.db2.gz	LRZOBKMOJZHOIY-UHFFFAOYSA-N	0	3	282.428	2.184	40	70		CEIBHN
O[C@@]12C[C@@H]3C[C@@H](C[C@@](NCc4ccccn4)(C3)C1)C2	ZINC000217941904	370202620	/nfs/dbraw/zinc/20/26/20/370202620.db2.gz	FTCUIWWMJSNFKT-UPUJQMMVSA-N	0	3	258.365	2.255	40	70		CEIBHN
COc1ccc(CN(C)C(=O)CC2CCN(C)CC2)cc1	ZINC000216897863	394453086	/nfs/dbraw/zinc/45/30/86/394453086.db2.gz	NSIRDTKRTLSXEL-UHFFFAOYSA-N	0	3	290.407	2.386	40	70		CEIBHN
Cc1cccc(Nc2cc(N3CCNCC3)nc(C)n2)c1	ZINC000217678569	394455207	/nfs/dbraw/zinc/45/52/07/394455207.db2.gz	SAUYSYFYVTXVSK-UHFFFAOYSA-N	0	3	283.379	2.247	40	70		CEIBHN
CN1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000216909948	262341825	/nfs/dbraw/zinc/34/18/25/262341825.db2.gz	GSQCEVHUQBKTNS-RDVIWEACSA-N	0	3	276.424	2.413	40	70		CEIBHN
CN1CCC(CC(=O)N2CCCC(C)(C)C2)CC1	ZINC000216900873	394453160	/nfs/dbraw/zinc/45/31/60/394453160.db2.gz	IFEYROJARNHATP-UHFFFAOYSA-N	0	3	252.402	2.367	40	70		CEIBHN
COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(C)C2)c1	ZINC000216907161	394452762	/nfs/dbraw/zinc/45/27/62/394452762.db2.gz	SMUTXHNIMGKHNL-ZDUSSCGKSA-N	0	3	290.363	2.062	40	70		CEIBHN
CCOc1ccccc1CNC(=O)CC1CCN(C)CC1	ZINC000216900980	394452843	/nfs/dbraw/zinc/45/28/43/394452843.db2.gz	JTCYQOMBMFVEIZ-UHFFFAOYSA-N	0	3	290.407	2.433	40	70		CEIBHN
CCOc1ccc(CNC(=O)CC2CCN(C)CC2)cc1	ZINC000216899991	189706729	/nfs/dbraw/zinc/70/67/29/189706729.db2.gz	FZPFWEFCJRNUFI-UHFFFAOYSA-N	0	3	290.407	2.433	40	70		CEIBHN
Cc1nc(Nc2ccc(F)cc2)cc(N2CCNCC2)n1	ZINC000217678452	394455419	/nfs/dbraw/zinc/45/54/19/394455419.db2.gz	ZRHAOZNOEGDVIJ-UHFFFAOYSA-N	0	3	287.342	2.077	40	70		CEIBHN
CN1CCC(CC(=O)NCCSCc2ccco2)CC1	ZINC000216893861	394453165	/nfs/dbraw/zinc/45/31/65/394453165.db2.gz	WZWXNTBLGQRTOT-UHFFFAOYSA-N	0	3	296.436	2.361	40	70		CEIBHN
CN1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	ZINC000216893095	394453127	/nfs/dbraw/zinc/45/31/27/394453127.db2.gz	OVNXSGXEOYPUDK-BFHYXJOUSA-N	0	3	250.386	2.023	40	70		CEIBHN
CN(C)CCNC(=O)[C@@]12C[C@@H]3CC(C[C@@H](C3)C1)CC2	ZINC000217457914	289163531	/nfs/dbraw/zinc/16/35/31/289163531.db2.gz	PABAGPRZQGATPH-BLCNCEAHSA-N	0	3	264.413	2.271	40	70		CEIBHN
COc1ccccc1CN(C)C(=O)CC1CCN(C)CC1	ZINC000216902878	394452979	/nfs/dbraw/zinc/45/29/79/394452979.db2.gz	CNJBJDWBEUAHSN-UHFFFAOYSA-N	0	3	290.407	2.386	40	70		CEIBHN
Cc1cccc(CCCNC(=O)C2CCN(C)CC2)c1	ZINC000216922046	370192145	/nfs/dbraw/zinc/19/21/45/370192145.db2.gz	FAVBHNQTKZBNIE-UHFFFAOYSA-N	0	3	274.408	2.386	40	70		CEIBHN
Cc1ccc(CN(C)C(=O)C2CCN(C)CC2)cc1	ZINC000216923360	370191688	/nfs/dbraw/zinc/19/16/88/370191688.db2.gz	DYHIXLLTBJDJDF-UHFFFAOYSA-N	0	3	260.381	2.295	40	70		CEIBHN
CN1CCC(NC(=O)CSCc2ccc(F)cc2)CC1	ZINC000217019169	370191670	/nfs/dbraw/zinc/19/16/70/370191670.db2.gz	VGBNLJXRHPMYRC-UHFFFAOYSA-N	0	3	296.411	2.269	40	70		CEIBHN
CN1CCC(C(=O)NCCCSCc2ccco2)CC1	ZINC000216923585	370192065	/nfs/dbraw/zinc/19/20/65/370192065.db2.gz	AERRLLHWASWYBJ-UHFFFAOYSA-N	0	3	296.436	2.361	40	70		CEIBHN
CN1CCC(C(=O)NCCCc2ccc(F)cc2)CC1	ZINC000216921761	394452968	/nfs/dbraw/zinc/45/29/68/394452968.db2.gz	VJNHQKAZJMTHDI-UHFFFAOYSA-N	0	3	278.371	2.216	40	70		CEIBHN