smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCN1c2cc(F)c(CNCC)cc2[C@H](C)CC1(C)C	ZINC000260719781	328055105	/nfs/dbraw/zinc/05/51/05/328055105.db2.gz	MSPGZRDAPFULBA-CYBMUJFWSA-N	0	3	292.442	4.437	40	10		CICBHN
CCN1c2cc(F)c(CNC(C)C)cc2[C@H](C)CC1(C)C	ZINC000260719818	328055152	/nfs/dbraw/zinc/05/51/52/328055152.db2.gz	NCCINEMBGPVNPG-CYBMUJFWSA-N	0	3	292.442	4.436	40	10		CICBHN
Cc1cccc(NN=C2C=CC(=O)C(CN(C)C)=C2)c1	ZINC000006005897	170166959	/nfs/dbraw/zinc/16/69/59/170166959.db2.gz	IMYQWHPBWMROPD-ISLYRVAYSA-N	0	3	269.348	4.178	40	10		CICBHN
CCCCN1c2cc(F)c(CNC)cc2[C@H](C)CC1(C)C	ZINC000260714149	328055999	/nfs/dbraw/zinc/05/59/99/328055999.db2.gz	AZFLZKNDXRWEGS-CYBMUJFWSA-N	0	3	292.442	4.437	40	10		CICBHN
Cc1ccc(C(C)(C)C)c([O-])c1C[NH2+]C1CCCCC1	ZINC000001760428	567843014	/nfs/dbraw/zinc/84/30/14/567843014.db2.gz	GDPWCSIEKMFLKH-UHFFFAOYSA-N	0	3	275.436	4.420	40	10		CICBHN
CCCN1c2cc(F)c(CNCC)cc2[C@@H](C)CC1(C)C	ZINC000223785732	567950941	/nfs/dbraw/zinc/95/09/41/567950941.db2.gz	MSPGZRDAPFULBA-ZDUSSCGKSA-N	0	3	292.442	4.437	40	10		CICBHN
CCCN1c2cc(F)c(CNC)cc2[C@@H](C)CC1(C)C	ZINC000223783510	567950793	/nfs/dbraw/zinc/95/07/93/567950793.db2.gz	YYDWXPKIBKLFHI-LBPRGKRZSA-N	0	3	278.415	4.047	40	10		CICBHN
CCN1c2cc(F)c(CNC(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223790042	567951027	/nfs/dbraw/zinc/95/10/27/567951027.db2.gz	NCCINEMBGPVNPG-ZDUSSCGKSA-N	0	3	292.442	4.436	40	10		CICBHN
CCCCN1c2cc(OC)c(CN)cc2[C@H](C)CC1(C)C	ZINC000260725284	328055281	/nfs/dbraw/zinc/05/52/81/328055281.db2.gz	UFNJSRGNBPTDLZ-CYBMUJFWSA-N	0	3	290.451	4.046	40	10		CICBHN
CCN1c2cc(Cl)c(CNC)cc2[C@H](C)CC1(C)C	ZINC000260726563	328055401	/nfs/dbraw/zinc/05/54/01/328055401.db2.gz	ZDPFORIITXVJNE-LLVKDONJSA-N	0	3	280.843	4.172	40	10		CICBHN
CCCn1cc2c3c1cccc3[C@@H]1C[C@@H](C)CN(C)[C@@H]1C2	ZINC000013597814	567866583	/nfs/dbraw/zinc/86/65/83/567866583.db2.gz	CCERKVUKEIGSPP-RPVQJOFSSA-N	0	3	282.431	4.031	40	10		CICBHN
CCN1CCCC[C@H]1c1cccnc1-n1c(C)ccc1C	ZINC000072216839	567921026	/nfs/dbraw/zinc/92/10/26/567921026.db2.gz	VBBOADRTHHLYOK-KRWDZBQOSA-N	0	3	283.419	4.036	40	10		CICBHN
CCNCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	ZINC000223785163	567950921	/nfs/dbraw/zinc/95/09/21/567950921.db2.gz	CLSJHEYCOJSRCG-NSHDSACASA-N	0	3	280.843	4.172	40	10		CICBHN
CCCNCc1cc2c(cc1F)N(CC)C(C)(C)C[C@@H]2C	ZINC000223787792	567950961	/nfs/dbraw/zinc/95/09/61/567950961.db2.gz	NSTHGEFVEQWPOE-ZDUSSCGKSA-N	0	3	292.442	4.437	40	10		CICBHN
CCNCc1cc2c(cc1F)N(CC)C(C)(C)C[C@H]2C	ZINC000260725566	328055377	/nfs/dbraw/zinc/05/53/77/328055377.db2.gz	YELPMKMWDOHSNW-GFCCVEGCSA-N	0	3	278.415	4.047	40	10		CICBHN
[O-]c1ccc2ccccc2c1C[NH+]1CC2CCC(CC2)C1	ZINC000001615808	567839370	/nfs/dbraw/zinc/83/93/70/567839370.db2.gz	NYTILELMQJUQGB-UHFFFAOYSA-N	0	3	281.399	4.167	40	10		CICBHN
Cc1ccc(NN=C2C=CC(=O)C(CN(C)C)=C2)cc1	ZINC000104312709	567916604	/nfs/dbraw/zinc/91/66/04/567916604.db2.gz	SGMJQDSNLIVXDX-ZCXUNETKSA-N	0	3	269.348	4.178	40	10		CICBHN
CCCCN1c2cc(F)c(CN)cc2[C@@H](C)CC1(C)C	ZINC000223781333	567950718	/nfs/dbraw/zinc/95/07/18/567950718.db2.gz	ZRBXUMFMXXVAFJ-LBPRGKRZSA-N	0	3	278.415	4.177	40	10		CICBHN
CCCCN1c2cc(F)c(CN)cc2C(C)=CC1(C)C	ZINC000223796582	567950905	/nfs/dbraw/zinc/95/09/05/567950905.db2.gz	KIYYQHJEVJKUNU-UHFFFAOYSA-N	0	3	276.399	4.086	40	10		CICBHN
CCNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260714663	328054707	/nfs/dbraw/zinc/05/47/07/328054707.db2.gz	DRAJNLVZDLHZKS-CYBMUJFWSA-N	0	3	292.442	4.436	40	10		CICBHN
CC(C)NCc1cc2c(cc1F)N(C)C(C)(C)C[C@@H]2C	ZINC000223789969	567950925	/nfs/dbraw/zinc/95/09/25/567950925.db2.gz	HXNSHRXDRLEZAD-LBPRGKRZSA-N	0	3	278.415	4.046	40	10		CICBHN
Cc1cc(C)c2c(c1)nccc2Nc1ccc(N)cc1	ZINC000064875345	567110107	/nfs/dbraw/zinc/11/01/07/567110107.db2.gz	BSAHRAXIBZQZCD-UHFFFAOYSA-N	0	3	263.344	4.177	40	10		CICBHN
CCCn1cc2c3c1cccc3[C@@H]1C[C@H](C)CN(C)[C@@H]1C2	ZINC000033653501	567887062	/nfs/dbraw/zinc/88/70/62/567887062.db2.gz	CCERKVUKEIGSPP-QANKJYHBSA-N	0	3	282.431	4.031	40	10		CICBHN
CCOc1ccc2nc3cc(Cl)ccc3c(N)c2c1	ZINC000089157655	567907432	/nfs/dbraw/zinc/90/74/32/567907432.db2.gz	QFNHSWUFPJOTIR-UHFFFAOYSA-N	0	3	272.735	4.022	40	10		CICBHN
CNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223783584	567950712	/nfs/dbraw/zinc/95/07/12/567950712.db2.gz	JFWVNSVGTLTMDA-LBPRGKRZSA-N	0	3	278.415	4.046	40	10		CICBHN
Cc1cccc(C)c1NN=C1C=CC(=O)C(CN(C)C)=C1	ZINC000006005902	170167367	/nfs/dbraw/zinc/16/73/67/170167367.db2.gz	PBOOGLDTJWLDNA-VHEBQXMUSA-N	0	3	283.375	4.486	40	10		CICBHN
CCCNCc1cc2c(cc1F)N(C)C(C)(C)C[C@@H]2C	ZINC000223787716	567950952	/nfs/dbraw/zinc/95/09/52/567950952.db2.gz	OCDDGZCUVHJQDQ-LBPRGKRZSA-N	0	3	278.415	4.047	40	10		CICBHN
CCN1CCCC[C@@H]1c1ccc(-n2c(C)ccc2C)nc1	ZINC000072216778	256710693	/nfs/dbraw/zinc/71/06/93/256710693.db2.gz	YCQJNPASHUPFPD-QGZVFWFLSA-N	0	3	283.419	4.036	40	10		CICBHN
Cc1ccc(NN=C2C=CC(=O)C(CN(C)C)=C2)cc1C	ZINC000006005901	170166937	/nfs/dbraw/zinc/16/69/37/170166937.db2.gz	HXPYFGPIBVNFIY-VHEBQXMUSA-N	0	3	283.375	4.486	40	10		CICBHN
Cc1ccc(NN=C2C=CC(=O)C(CN(C)C)=C2)cc1	ZINC000006005900	170167418	/nfs/dbraw/zinc/16/74/18/170167418.db2.gz	SGMJQDSNLIVXDX-ISLYRVAYSA-N	0	3	269.348	4.178	40	10		CICBHN
CNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260719576	328055122	/nfs/dbraw/zinc/05/51/22/328055122.db2.gz	JFWVNSVGTLTMDA-GFCCVEGCSA-N	0	3	278.415	4.046	40	10		CICBHN
CCN1c2cc(Cl)c(CNC)cc2[C@@H](C)CC1(C)C	ZINC000223783018	567950630	/nfs/dbraw/zinc/95/06/30/567950630.db2.gz	ZDPFORIITXVJNE-NSHDSACASA-N	0	3	280.843	4.172	40	10		CICBHN
Cc1cccc(NN=C2C=CC(=O)C(CN(C)C)=C2)c1	ZINC000104312702	567916562	/nfs/dbraw/zinc/91/65/62/567916562.db2.gz	IMYQWHPBWMROPD-ZCXUNETKSA-N	0	3	269.348	4.178	40	10		CICBHN
CCCn1cc2c3c1cccc3[C@H]1C[C@H](C)CN(C)[C@@H]1C2	ZINC000033653502	567886875	/nfs/dbraw/zinc/88/68/75/567886875.db2.gz	CCERKVUKEIGSPP-FDQGKXFDSA-N	0	3	282.431	4.031	40	10		CICBHN
CCN1CCCC[C@H]1c1ccc(-n2c(C)ccc2C)nc1	ZINC000072216779	567921082	/nfs/dbraw/zinc/92/10/82/567921082.db2.gz	YCQJNPASHUPFPD-KRWDZBQOSA-N	0	3	283.419	4.036	40	10		CICBHN
CCCCN1c2cc(OC)c(CN)cc2[C@@H](C)CC1(C)C	ZINC000223781887	567950649	/nfs/dbraw/zinc/95/06/49/567950649.db2.gz	UFNJSRGNBPTDLZ-ZDUSSCGKSA-N	0	3	290.451	4.046	40	10		CICBHN
CCCn1cc2c3c1cccc3[C@H]1C[C@@H](C)CN(C)[C@@H]1C2	ZINC000005392913	170093866	/nfs/dbraw/zinc/09/38/66/170093866.db2.gz	CCERKVUKEIGSPP-MZMPZRCHSA-N	0	3	282.431	4.031	40	10		CICBHN
CC(C)NCc1cc2c(cc1F)N(C)C(C)(C)C[C@H]2C	ZINC000260717063	328054570	/nfs/dbraw/zinc/05/45/70/328054570.db2.gz	HXNSHRXDRLEZAD-GFCCVEGCSA-N	0	3	278.415	4.046	40	10		CICBHN
CCCCN1c2cc(F)c(CN)cc2[C@H](C)CC1(C)C	ZINC000260726741	328055348	/nfs/dbraw/zinc/05/53/48/328055348.db2.gz	ZRBXUMFMXXVAFJ-GFCCVEGCSA-N	0	3	278.415	4.177	40	10		CICBHN
CCNCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	ZINC000260714469	328055961	/nfs/dbraw/zinc/05/59/61/328055961.db2.gz	CLSJHEYCOJSRCG-LLVKDONJSA-N	0	3	280.843	4.172	40	10		CICBHN
COc1cc(C(C)(C)CC(C)(C)C)cc(CN(C)C)c1O	ZINC000001592041	567839091	/nfs/dbraw/zinc/83/90/91/567839091.db2.gz	MFPMSHOJFPZKBY-UHFFFAOYSA-N	0	3	293.451	4.176	40	10		CICBHN
Cc1c(Cl)cc(C(C)C)c([O-])c1C[NH+]1CCCCC1	ZINC000001677245	566995881	/nfs/dbraw/zinc/99/58/81/566995881.db2.gz	YVMQLJCACNGCKO-UHFFFAOYSA-N	0	3	281.827	4.463	40	10		CICBHN
Cc1cc(C(C)(C)C)cc(C[NH2+]C2CCCCC2)c1[O-]	ZINC000001679634	566996613	/nfs/dbraw/zinc/99/66/13/566996613.db2.gz	DVMJYVSFWOSELO-UHFFFAOYSA-N	0	3	275.436	4.420	40	10	in-vitro	CICBHN
c1ccc2c(c1)Oc1ccccc1N2CCN1CCCCC1	ZINC000001690550	567841601	/nfs/dbraw/zinc/84/16/01/567841601.db2.gz	SSCREFVQOIMQOG-UHFFFAOYSA-N	0	3	294.398	4.416	40	10		CICBHN
CCNCc1cc2c(cc1F)N(CC)C(C)(C)C[C@@H]2C	ZINC000223785656	567950913	/nfs/dbraw/zinc/95/09/13/567950913.db2.gz	YELPMKMWDOHSNW-LBPRGKRZSA-N	0	3	278.415	4.047	40	10		CICBHN
CCCNCc1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	ZINC000223802028	570313392	/nfs/dbraw/zinc/31/33/92/570313392.db2.gz	DGZSENINCSSXIT-UHFFFAOYSA-N	0	3	292.854	4.471	40	10		CICBHN
CCN1CCCC[C@@H]1c1cccnc1-n1c(C)ccc1C	ZINC000072216838	256709971	/nfs/dbraw/zinc/70/99/71/256709971.db2.gz	VBBOADRTHHLYOK-QGZVFWFLSA-N	0	3	283.419	4.036	40	10		CICBHN
CCCNCc1cc2c(cc1F)N(CC)C(C)(C)C[C@H]2C	ZINC000260722318	328055066	/nfs/dbraw/zinc/05/50/66/328055066.db2.gz	NSTHGEFVEQWPOE-CYBMUJFWSA-N	0	3	292.442	4.437	40	10		CICBHN
CCCNCc1cc2c(cc1F)N(C)C(C)(C)C[C@H]2C	ZINC000260722378	328055130	/nfs/dbraw/zinc/05/51/30/328055130.db2.gz	OCDDGZCUVHJQDQ-GFCCVEGCSA-N	0	3	278.415	4.047	40	10		CICBHN
CCCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1[O-]	ZINC000001664850	567840422	/nfs/dbraw/zinc/84/04/22/567840422.db2.gz	ZLQGXMUSHLAGBT-KRWDZBQOSA-N	0	3	269.388	4.066	40	10		CICBHN
CCNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223785809	567950969	/nfs/dbraw/zinc/95/09/69/567950969.db2.gz	DRAJNLVZDLHZKS-ZDUSSCGKSA-N	0	3	292.442	4.436	40	10		CICBHN
CCCCN1c2cc(F)c(CNC)cc2[C@@H](C)CC1(C)C	ZINC000223783660	567950974	/nfs/dbraw/zinc/95/09/74/567950974.db2.gz	AZFLZKNDXRWEGS-ZDUSSCGKSA-N	0	3	292.442	4.437	40	10		CICBHN
[O-]c1ccccc1C[NH2+]CC12CC3C[C@H](C1)CC[C@@H](C3)C2	ZINC000004833714	170025987	/nfs/dbraw/zinc/02/59/87/170025987.db2.gz	JSGYFGDVUVUJIX-JOUKPKRSSA-N	0	3	285.431	4.088	40	10		CICBHN
CCCN1c2cc(F)c(CNC)cc2[C@H](C)CC1(C)C	ZINC000260726520	328055291	/nfs/dbraw/zinc/05/52/91/328055291.db2.gz	YYDWXPKIBKLFHI-GFCCVEGCSA-N	0	3	278.415	4.047	40	10		CICBHN
CC1=CC(C)(C)N(C)c2cc(Cl)c(CNC(C)C)cc21	ZINC000223822118	570313318	/nfs/dbraw/zinc/31/33/18/570313318.db2.gz	FLHAIYSTCFOCPM-UHFFFAOYSA-N	0	3	292.854	4.470	40	10		CICBHN
Nc1csc(Nc2c3ccccc3nc3ccccc32)n1	ZINC000005393057	170093820	/nfs/dbraw/zinc/09/38/20/170093820.db2.gz	OEFZAXYNBDALSQ-UHFFFAOYSA-N	0	3	292.367	4.170	40	10		CICBHN
CCCC[NH2+][C@H](Cc1ccccc1)c1ccccc1[O-]	ZINC000005973613	170164673	/nfs/dbraw/zinc/16/46/73/170164673.db2.gz	ZLQGXMUSHLAGBT-QGZVFWFLSA-N	0	3	269.388	4.066	40	10		CICBHN
Cc1cccc(C)c1NN=C1C=CC(=O)C(CN(C)C)=C1	ZINC000104312723	567916509	/nfs/dbraw/zinc/91/65/09/567916509.db2.gz	PBOOGLDTJWLDNA-HNENSFHCSA-N	0	3	283.375	4.486	40	10		CICBHN
Cc1ccc(NN=C2C=CC(=O)C(CN(C)C)=C2)cc1C	ZINC000104312717	567916592	/nfs/dbraw/zinc/91/65/92/567916592.db2.gz	HXPYFGPIBVNFIY-HNENSFHCSA-N	0	3	283.375	4.486	40	10		CICBHN
CCCNCc1cc2c(cc1F)N(CC)C(C)(C)C=C2C	ZINC000223802539	570313395	/nfs/dbraw/zinc/31/33/95/570313395.db2.gz	YNTFRKPIEUSUKM-UHFFFAOYSA-N	0	3	290.426	4.347	40	10		CICBHN
CCN1c2cc(F)c(CNC(C)C)cc2C(C)=CC1(C)C	ZINC000223822616	570313406	/nfs/dbraw/zinc/31/34/06/570313406.db2.gz	ZWXPGGVTEJTMRJ-UHFFFAOYSA-N	0	3	290.426	4.346	40	10		CICBHN