smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN1c2cc(F)c(CNCC)cc2[C@H](C)CC1(C)C	ZINC000260725307	333592109	/nfs/dbraw/zinc/59/21/09/333592109.db2.gz	UMETUJVYRLCXLR-CQSZACIVSA-N	0	3	306.469	4.828	40	10		DJCBHN
CCCCN1c2cc(OC)c(CNCC)cc2[C@H](C)CC1(C)C	ZINC000260725279	333592127	/nfs/dbraw/zinc/59/21/27/333592127.db2.gz	UDXHWUYFMOJTID-OAHLLOKOSA-N	0	3	318.505	4.697	40	10		DJCBHN
CCCNCc1cc2c(cc1Cl)N(CC)C(C)(C)C=C2C	ZINC000223802121	563736459	/nfs/dbraw/zinc/73/64/59/563736459.db2.gz	FANFGOHBSCSAJC-UHFFFAOYSA-N	0	3	306.881	4.861	40	10		DJCBHN
CCCCN1c2cc(OC)c(CNCC)cc2[C@@H](C)CC1(C)C	ZINC000223786320	563736650	/nfs/dbraw/zinc/73/66/50/563736650.db2.gz	UDXHWUYFMOJTID-HNNXBMFYSA-N	0	3	318.505	4.697	40	10		DJCBHN
CCCNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223787936	563736524	/nfs/dbraw/zinc/73/65/24/563736524.db2.gz	UPIONKKJTBPSOC-AWEZNQCLSA-N	0	3	306.469	4.826	40	10		DJCBHN
CCCCN1c2cc(Cl)c(CNC)cc2C(C)=CC1(C)C	ZINC000223798199	563736621	/nfs/dbraw/zinc/73/66/21/563736621.db2.gz	SFFRZCKRRKAIGP-UHFFFAOYSA-N	0	3	306.881	4.861	40	10		DJCBHN
COc1cc(N)ccc1Nc1c2ccccc2nc2ccccc21	ZINC000005393054	181238742	/nfs/dbraw/zinc/23/87/42/181238742.db2.gz	ZFZIUGOGRMNHQT-UHFFFAOYSA-N	0	3	315.376	4.722	40	10		DJCBHN
CCCCN1c2cc(Cl)c(CNC)cc2[C@@H](C)CC1(C)C	ZINC000223783273	201655673	/nfs/dbraw/zinc/65/56/73/201655673.db2.gz	MZQBYQVEAALGPP-ZDUSSCGKSA-N	0	3	308.897	4.952	40	10		DJCBHN
CC(C)(C)CC(C)(C)c1cc(O)c([O-])c(C[NH+]2CCCCC2)c1	ZINC000001706300	563895782	/nfs/dbraw/zinc/89/57/82/563895782.db2.gz	RTSMCCDWYFYEBH-UHFFFAOYSA-N	0	3	319.489	4.798	40	10	in-vitro	DJCBHN
CCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C=C2C	ZINC000223800202	563736625	/nfs/dbraw/zinc/73/66/25/563736625.db2.gz	MAFMNSKCVCVKSU-UHFFFAOYSA-N	0	3	306.881	4.860	40	10		DJCBHN
CCCNCc1cc2c(cc1F)N(CCC)C(C)(C)C=C2C	ZINC000223802633	563736612	/nfs/dbraw/zinc/73/66/12/563736612.db2.gz	VIKHCLRYVJDACK-UHFFFAOYSA-N	0	3	304.453	4.737	40	10		DJCBHN
CCCCN1c2cc(Cl)c(CNC)cc2[C@H](C)CC1(C)C	ZINC000260719807	563781067	/nfs/dbraw/zinc/78/10/67/563781067.db2.gz	MZQBYQVEAALGPP-CYBMUJFWSA-N	0	3	308.897	4.952	40	10		DJCBHN
CCCCN1c2cc(F)c(CNCC)cc2[C@@H](C)CC1(C)C	ZINC000223785893	563736477	/nfs/dbraw/zinc/73/64/77/563736477.db2.gz	UMETUJVYRLCXLR-AWEZNQCLSA-N	0	3	306.469	4.828	40	10		DJCBHN
[O-]c1ccccc1[C@H]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]2[NH2+]1	ZINC000005769807	181282243	/nfs/dbraw/zinc/28/22/43/181282243.db2.gz	FAXYOLVJOUGVAO-RSPOEFSDSA-N	0	3	307.437	4.769	40	10		DJCBHN
[O-]c1ccccc1[C@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]2[NH2+]1	ZINC000006597999	181359542	/nfs/dbraw/zinc/35/95/42/181359542.db2.gz	FAXYOLVJOUGVAO-BTHPGYMESA-N	0	3	307.437	4.769	40	10		DJCBHN
CCN(CC)c1ccc(CNc2ccnc3ccccc32)cc1	ZINC000001683234	563291039	/nfs/dbraw/zinc/29/10/39/563291039.db2.gz	KULWGPIYQLUANB-UHFFFAOYSA-N	0	3	305.425	4.693	40	10		DJCBHN
CCN1c2cc(Cl)c(CNC(C)C)cc2[C@H](C)CC1(C)C	ZINC000260722710	333592058	/nfs/dbraw/zinc/59/20/58/333592058.db2.gz	RTYWMSBGGKHQMS-CYBMUJFWSA-N	0	3	308.897	4.950	40	10		DJCBHN
CCCN1c2cc(Cl)c(CNCC)cc2C(C)=CC1(C)C	ZINC000223800120	563736409	/nfs/dbraw/zinc/73/64/09/563736409.db2.gz	SFJUBAHUADSMAW-UHFFFAOYSA-N	0	3	306.881	4.861	40	10		DJCBHN
CCN1c2cc(Cl)c(CNC(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223789618	563736493	/nfs/dbraw/zinc/73/64/93/563736493.db2.gz	RTYWMSBGGKHQMS-ZDUSSCGKSA-N	0	3	308.897	4.950	40	10		DJCBHN
CC(C)NCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260717165	563781046	/nfs/dbraw/zinc/78/10/46/563781046.db2.gz	IOMCSKQDJQBWJE-CQSZACIVSA-N	0	3	306.469	4.824	40	10		DJCBHN
C[N@H+](Cc1c[nH]c2ccccc12)Cc1c([O-])ccc2ccccc21	ZINC000001569518	568412282	/nfs/dbraw/zinc/41/22/82/568412282.db2.gz	AGJVTQPICZNUFO-UHFFFAOYSA-N	0	3	316.404	4.659	40	10		DJCBHN
C[N@@H+](Cc1c[nH]c2ccccc12)Cc1c([O-])ccc2ccccc21	ZINC000001569518	568412283	/nfs/dbraw/zinc/41/22/83/568412283.db2.gz	AGJVTQPICZNUFO-UHFFFAOYSA-N	0	3	316.404	4.659	40	10		DJCBHN
[O-]c1ccccc1[C@@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]2[NH2+]1	ZINC000006598003	181359265	/nfs/dbraw/zinc/35/92/65/181359265.db2.gz	FAXYOLVJOUGVAO-GTAWCEEGSA-N	0	3	307.437	4.769	40	10		DJCBHN
[O-]c1ccccc1[C@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@H]2[NH2+]1	ZINC000105826616	194137082	/nfs/dbraw/zinc/13/70/82/194137082.db2.gz	FAXYOLVJOUGVAO-GSEOLPGOSA-N	0	3	307.437	4.769	40	10		DJCBHN
CCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223785420	563736606	/nfs/dbraw/zinc/73/66/06/563736606.db2.gz	XYEARQRAVDNWER-ZDUSSCGKSA-N	0	3	308.897	4.950	40	10		DJCBHN
CCCN1c2cc(F)c(CNC(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223790126	201655878	/nfs/dbraw/zinc/65/58/78/201655878.db2.gz	KWSQBZNEUIZFFE-AWEZNQCLSA-N	0	3	306.469	4.826	40	10		DJCBHN
CCCN1c2cc(Cl)c(CNCC)cc2[C@@H](C)CC1(C)C	ZINC000223785330	563736618	/nfs/dbraw/zinc/73/66/18/563736618.db2.gz	XEADJTQHDZBWJE-ZDUSSCGKSA-N	0	3	308.897	4.952	40	10		DJCBHN
[O-]c1ccccc1C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1	ZINC000001441948	563283452	/nfs/dbraw/zinc/28/34/52/563283452.db2.gz	CVCRDACYBPOIIW-UHFFFAOYSA-N	0	3	321.395	4.734	40	10		DJCBHN
[O-]c1ccccc1C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1	ZINC000001441948	563283454	/nfs/dbraw/zinc/28/34/54/563283454.db2.gz	CVCRDACYBPOIIW-UHFFFAOYSA-N	0	3	321.395	4.734	40	10		DJCBHN
CCCNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260725322	563780900	/nfs/dbraw/zinc/78/09/00/563780900.db2.gz	UPIONKKJTBPSOC-CQSZACIVSA-N	0	3	306.469	4.826	40	10		DJCBHN
CC(C)NCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223790211	563736658	/nfs/dbraw/zinc/73/66/58/563736658.db2.gz	IOMCSKQDJQBWJE-AWEZNQCLSA-N	0	3	306.469	4.824	40	10		DJCBHN
CCCNCc1cc2c(cc1Cl)N(CC)C(C)(C)C[C@H]2C	ZINC000260722548	563780969	/nfs/dbraw/zinc/78/09/69/563780969.db2.gz	PSROYCIZYYVGNA-CYBMUJFWSA-N	0	3	308.897	4.952	40	10		DJCBHN
CCCN1c2cc(F)c(CNC(C)C)cc2[C@H](C)CC1(C)C	ZINC000260719641	563781000	/nfs/dbraw/zinc/78/10/00/563781000.db2.gz	KWSQBZNEUIZFFE-CQSZACIVSA-N	0	3	306.469	4.826	40	10		DJCBHN
CCCN1c2cc(Cl)c(CNCC)cc2[C@H](C)CC1(C)C	ZINC000260725497	563781089	/nfs/dbraw/zinc/78/10/89/563781089.db2.gz	XEADJTQHDZBWJE-CYBMUJFWSA-N	0	3	308.897	4.952	40	10		DJCBHN
CCCCN1c2cc(F)c(CNCC)cc2C(C)=CC1(C)C	ZINC000223800709	563736437	/nfs/dbraw/zinc/73/64/37/563736437.db2.gz	OMGWEASDYKAOQA-UHFFFAOYSA-N	0	3	304.453	4.737	40	10		DJCBHN
CCCNCc1cc2c(cc1F)N(CCC)C(C)(C)C[C@@H]2C	ZINC000223787858	563736615	/nfs/dbraw/zinc/73/66/15/563736615.db2.gz	NAIKALHDOPMQKU-AWEZNQCLSA-N	0	3	306.469	4.828	40	10		DJCBHN
CCCNCc1cc2c(cc1F)N(CCC)C(C)(C)C[C@H]2C	ZINC000260719812	563780917	/nfs/dbraw/zinc/78/09/17/563780917.db2.gz	NAIKALHDOPMQKU-CQSZACIVSA-N	0	3	306.469	4.828	40	10		DJCBHN
CCCCN1c2cc(OC)c(CNCC)cc2C(C)=CC1(C)C	ZINC000223801119	563736484	/nfs/dbraw/zinc/73/64/84/563736484.db2.gz	GFAMOOIAXZHQSC-UHFFFAOYSA-N	0	3	316.489	4.607	40	10		DJCBHN
[O-]c1ccccc1[C@@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@H]2[NH2+]1	ZINC000105826620	194138555	/nfs/dbraw/zinc/13/85/55/194138555.db2.gz	FAXYOLVJOUGVAO-MDNKFWRPSA-N	0	3	307.437	4.769	40	10		DJCBHN
CCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260725551	333592155	/nfs/dbraw/zinc/59/21/55/333592155.db2.gz	XYEARQRAVDNWER-CYBMUJFWSA-N	0	3	308.897	4.950	40	10		DJCBHN
CCCNCc1cc2c(cc1Cl)N(CC)C(C)(C)C[C@@H]2C	ZINC000223787412	563736675	/nfs/dbraw/zinc/73/66/75/563736675.db2.gz	PSROYCIZYYVGNA-ZDUSSCGKSA-N	0	3	308.897	4.952	40	10		DJCBHN