smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Fc1ccc([C@@H]2CCNC/C2=N/OCc2ccc(C(F)(F)F)cc2)cc1	ZINC000066111925	205364247	/nfs/dbraw/zinc/36/42/47/205364247.db2.gz	MVGGBVWDHAAHRT-AJHWWFRHSA-N	0	3	366.358	4.494	1	30		FIEFHN
Fc1ccc(CO/N=C2/CNCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	ZINC000066113977	205364783	/nfs/dbraw/zinc/36/47/83/205364783.db2.gz	VJIMIMVFGMCBSC-ATAOFQGQSA-N	0	3	366.358	4.494	1	30		FIEFHN
C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](OC(C)=O)[C@@H](C)CN1C	ZINC000006037844	560204784	/nfs/dbraw/zinc/20/47/84/560204784.db2.gz	OSICWVVWEXKSBD-LFAYTRTRSA-N	0	3	366.505	4.153	1	30	in-vitro	FIEFHN
CCN(CC)Cc1ccc(/C=C2\Oc3cc(OC)c(OC)cc3C2=O)cc1	ZINC000040874500	205083747	/nfs/dbraw/zinc/08/37/47/205083747.db2.gz	MTARCOKMIJQENR-NHDPSOOVSA-N	0	3	367.445	4.162	1	30		FIEFHN
CCN(CC)c1ccc(/C=N/O[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1	ZINC000003284992	520883378	/nfs/dbraw/zinc/88/33/78/520883378.db2.gz	IQYCJXZBMIAVSW-HINJULBWSA-N	0	3	353.466	4.219	3	30		FIEFHN
N#Cc1ccc(NC(=O)NC2CCN(C/C3=C\CCCCCC3)CC2)cc1	ZINC000169363124	206253915	/nfs/dbraw/zinc/25/39/15/206253915.db2.gz	UFDXRONLTRWNBO-SWNXQHNESA-N	0	3	366.509	4.425	1	30		FIEFHN
COc1ccc2c(c1)/C(=N\OCCN1CCCC1)c1c-2cnc2ccccc12	ZINC000064574062	205300949	/nfs/dbraw/zinc/30/09/49/205300949.db2.gz	HYOJEDQSYXZDSS-WJTDDFOZSA-N	0	3	373.456	4.089	1	30		FIEFHN
CCN(CC)CCN1N=C(c2ccccc2)CC2=C1CC(C)(C)CC2=O	ZINC000169332566	206252536	/nfs/dbraw/zinc/25/25/36/206252536.db2.gz	QIBWACVBWZWDRA-UHFFFAOYSA-N	0	3	353.510	4.081	1	30		FIEFHN
N#Cc1cccc(-c2cccn([C@H](CN3CCCC3)c3ccccc3)c2=O)c1	ZINC000013436646	204531425	/nfs/dbraw/zinc/53/14/25/204531425.db2.gz	YYFHILURMYOOQU-HSZRJFAPSA-N	0	3	369.468	4.072	1	30		FIEFHN
O=C(NO)[C@@H](Cc1ccccc1)NCc1c2ccccc2cc2ccccc21	ZINC000095554861	205786549	/nfs/dbraw/zinc/78/65/49/205786549.db2.gz	FVZNEHKIAQKRRY-HSZRJFAPSA-N	0	3	370.452	4.199	1	30		FIEFHN
CCCCCCCCCCCCCC[C@@H](N)C(=O)N([O-])CC[N+](C)(C)C	ZINC000064573166	205299880	/nfs/dbraw/zinc/29/98/80/205299880.db2.gz	GNCQKWDLAZKFAV-HXUWFJFHSA-N	0	3	372.618	4.329	1	30		FIEFHN
C=C1CCN(C[C@H]2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1	ZINC000003795709	206102497	/nfs/dbraw/zinc/10/24/97/206102497.db2.gz	YHUUDEBWXZFPLZ-MRXNPFEDSA-N	0	3	367.320	4.179	1	30		FIEFHN
CCN(CC)c1ccc(/C=N/O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1	ZINC000003284996	520882862	/nfs/dbraw/zinc/88/28/62/520882862.db2.gz	IQYCJXZBMIAVSW-HRKXOBMBSA-N	0	3	353.466	4.219	3	30		FIEFHN
C=CCN(C)CC[C@@]1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1	ZINC000053246852	221044777	/nfs/dbraw/zinc/04/47/77/221044777.db2.gz	TZBHZBWNMQYPPB-NRFANRHFSA-N	0	3	355.865	4.456	1	30		FIEFHN
Fc1ccc([C@H]2CCNC/C2=N\OCc2ccc(C(F)(F)F)cc2)cc1	ZINC000066111926	221241734	/nfs/dbraw/zinc/24/17/34/221241734.db2.gz	MVGGBVWDHAAHRT-KMSDRLMESA-N	0	3	366.358	4.494	1	30		FIEFHN
CC(/C=N/OCCN)=C\[C@H]1CC[C@]2(O)C[C@@H](C3CCCCC3)CC[C@]12C	ZINC000013471900	211035840	/nfs/dbraw/zinc/03/58/40/211035840.db2.gz	INNZZEIMHVLILC-GRUIDRMOSA-N	0	3	362.558	4.422	1	30		FIEFHN
C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)C1CC1)c1ccnc2ccccc21	ZINC000003998810	519295438	/nfs/dbraw/zinc/29/54/38/519295438.db2.gz	LZEIKPVKWHAHNK-VIDZHXABSA-N	0	3	362.473	4.126	1	30		FIEFHN
C1=C(CSC(=NC2CCCC2)NC2CCCCC2)N2CCN=C2S1	ZINC000049850420	581091286	/nfs/dbraw/zinc/09/12/86/581091286.db2.gz	OGXGHWFUPAEKDX-UHFFFAOYSA-N	0	3	364.584	4.200	1	30		FIEFHN
N#Cc1cccc(-c2cccn([C@@H](CN3CCCC3)c3ccccc3)c2=O)c1	ZINC000013436644	211034144	/nfs/dbraw/zinc/03/41/44/211034144.db2.gz	YYFHILURMYOOQU-QHCPKHFHSA-N	0	3	369.468	4.072	1	30		FIEFHN
CCCCCCCCCCCCCC[C@H](N)C(=O)N([O-])CC[N+](C)(C)C	ZINC000064573164	212040534	/nfs/dbraw/zinc/04/05/34/212040534.db2.gz	GNCQKWDLAZKFAV-FQEVSTJZSA-N	0	3	372.618	4.329	1	30		FIEFHN
C[C@]12CC[C@H](C3CCCCC3)C[C@@]1(O)CC[C@@H]2CC/C=N/OCCN	ZINC000013471896	211035298	/nfs/dbraw/zinc/03/52/98/211035298.db2.gz	LYGVESFKXUILGJ-URGADVRRSA-N	0	3	350.547	4.256	1	30		FIEFHN
C=CC[C@@H]1NCCC2=C1[C@@H](S(=O)(=O)c1ccc(C)cc1)c1ccccc12	ZINC000001860450	210150861	/nfs/dbraw/zinc/15/08/61/210150861.db2.gz	VNCRYOJGFHUMDP-UNMCSNQZSA-N	0	3	365.498	4.215	1	30		FIEFHN
C=CCN(C[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl)C1CC1	ZINC000103174528	210107804	/nfs/dbraw/zinc/10/78/04/210107804.db2.gz	HLBJRMUPTKPMDK-CYBMUJFWSA-N	0	3	351.281	4.019	1	30		FIEFHN
Fc1ccc(CO/N=C2\CNCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	ZINC000066114001	221241462	/nfs/dbraw/zinc/24/14/62/221241462.db2.gz	VJIMIMVFGMCBSC-KMSDRLMESA-N	0	3	366.358	4.494	1	30		FIEFHN
Cc1cc(NC(=NC2CCCCC2)N[C@@H]2NC=CS2)c2ccccc2n1	ZINC000101235689	222266420	/nfs/dbraw/zinc/26/64/20/222266420.db2.gz	DNVDDRVCYXVHQM-FQEVSTJZSA-N	0	3	367.522	4.325	1	30		FIEFHN
CCN(CC)Cc1ccc(/C=C2\Cc3cc(OC)c(OC)cc3C2=O)cc1	ZINC000040866234	581095429	/nfs/dbraw/zinc/09/54/29/581095429.db2.gz	BINZQDMZAMRQON-YBFXNURJSA-N	0	3	365.473	4.368	1	30		FIEFHN
C=CC[C@H]1NCCC2=C1[C@@H](S(=O)(=O)c1ccc(C)cc1)c1ccccc12	ZINC000001860447	210150729	/nfs/dbraw/zinc/15/07/29/210150729.db2.gz	VNCRYOJGFHUMDP-IRLDBZIGSA-N	0	3	365.498	4.215	1	30		FIEFHN
Fc1ccc([C@@H]2CCNC/C2=N\OCc2ccc(C(F)(F)F)cc2)cc1	ZINC000066111927	221240935	/nfs/dbraw/zinc/24/09/35/221240935.db2.gz	MVGGBVWDHAAHRT-YUWQHYHXSA-N	0	3	366.358	4.494	1	30		FIEFHN
C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)C1CC1)c1ccnc2ccccc21	ZINC000002496422	519300589	/nfs/dbraw/zinc/30/05/89/519300589.db2.gz	LZEIKPVKWHAHNK-NAYASGRBSA-N	0	3	362.473	4.126	1	30		FIEFHN
CCN(CC)CC#CCC[C@](O)(c1ccccc1)C1SCCCS1	ZINC000013821805	220097069	/nfs/dbraw/zinc/09/70/69/220097069.db2.gz	AOGYCVNCWAGEND-FQEVSTJZSA-N	0	3	363.592	4.196	1	30		FIEFHN
C[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC/C(=N\OCCN)C[C@H]12	ZINC000049803474	221027745	/nfs/dbraw/zinc/02/77/45/221027745.db2.gz	GPYIOUIOOLOMBI-FOPDQQCFSA-N	0	3	360.542	4.176	1	30		FIEFHN
CC(C)N(C)CC#CCCC(=O)[C@](O)(c1ccccc1)C1CCCCC1	ZINC000013825079	220096916	/nfs/dbraw/zinc/09/69/16/220096916.db2.gz	NCDKHCUYZWQMFG-QHCPKHFHSA-N	0	3	355.522	4.147	1	30		FIEFHN
C=C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC/C(=N\OCCN)C[C@H]12	ZINC000049803160	221027696	/nfs/dbraw/zinc/02/76/96/221027696.db2.gz	FKLNDOLSYZIBLR-LPHACNBESA-N	0	3	372.553	4.342	1	30		FIEFHN
C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC/C(=N\OCCN)C[C@H]12	ZINC000049803108	221027995	/nfs/dbraw/zinc/02/79/95/221027995.db2.gz	GPYIOUIOOLOMBI-WPNCPMOGSA-N	0	3	360.542	4.176	1	30		FIEFHN
C=CCN(C[C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl)C1CC1	ZINC000103174525	222323185	/nfs/dbraw/zinc/32/31/85/222323185.db2.gz	HLBJRMUPTKPMDK-ZDUSSCGKSA-N	0	3	351.281	4.019	1	30		FIEFHN
CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OCCC(C)C)cc12	ZINC000013741857	220092580	/nfs/dbraw/zinc/09/25/80/220092580.db2.gz	YCONTWQDILTPHS-ZVHZXABRSA-N	0	3	357.502	4.021	1	30		FIEFHN