smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS[C@@H](C)CCn1c(C)ccc1C	217323973	572027173	/nfs/dbraw/zinc/02/71/73/572027173.db2.gz	GUPKCQROUAHFKI-NSHDSACASA-N	0	0	197.347	3.247	10	70		AGIERN
CS[C@H](C)CCn1c(C)ccc1C	217323975	572027676	/nfs/dbraw/zinc/02/76/76/572027676.db2.gz	GUPKCQROUAHFKI-LLVKDONJSA-N	0	0	197.347	3.247	10	70		AGIERN
CCCC[C@H](CC)C(=O)N=[N+]=[N-]	238797408	572420535	/nfs/dbraw/zinc/42/05/35/572420535.db2.gz	JBALCUIQXNIMEF-ZETCQYMHSA-N	0	0	169.228	3.040	10	70		AGIERN
C=C(C)[SiH](C(C)C)C(C)C	307529238	572584555	/nfs/dbraw/zinc/58/45/55/572584555.db2.gz	LRCMVBAVLLQHEY-UHFFFAOYSA-N	0	0	156.345	3.149	10	70		AGIERN
C=CC[SiH](C(C)C)C(C)C	307044059	572872058	/nfs/dbraw/zinc/87/20/58/572872058.db2.gz	WBKXNXCYCBNFFU-UHFFFAOYSA-N	0	0	156.345	3.220	10	70		AGIERN
CCCCC=C[C@@H]1C[C@@H]1C(=O)N=[N+]=[N-]	238192959	572978832	/nfs/dbraw/zinc/97/88/32/572978832.db2.gz	HBEDTRDPQAGFIW-RKWMXMRGSA-N	0	0	193.250	3.206	10	70		AGIERN
CCCCC=C[C@@H]1C[C@H]1C(=O)N=[N+]=[N-]	238193021	572979750	/nfs/dbraw/zinc/97/97/50/572979750.db2.gz	HBEDTRDPQAGFIW-JKKBLNIGSA-N	0	0	193.250	3.206	10	70		AGIERN
c1ccc(OCCCC2CC2)cc1	217716199	573013727	/nfs/dbraw/zinc/01/37/27/573013727.db2.gz	BUHFYMDZWGXFNG-UHFFFAOYSA-N	0	0	176.259	3.256	10	70		AGIERN
C/C(=C/C1=CCCCC1)[C@H](O)C(C)C	218488783	573115865	/nfs/dbraw/zinc/11/58/65/573115865.db2.gz	ONGADTLLHWICST-PRWOLLLXSA-N	0	0	194.318	3.450	10	70		AGIERN
CCCCSc1ccnc(C)c1	218601253	573122765	/nfs/dbraw/zinc/12/27/65/573122765.db2.gz	GGSLJFQXEGQHRZ-UHFFFAOYSA-N	0	0	181.304	3.282	10	70		AGIERN
C/C=C\CCC/C(C)=C/CCO	218698568	573126664	/nfs/dbraw/zinc/12/66/64/573126664.db2.gz	BWFXYSZQNRHMGE-XOXVZCPUSA-N	0	0	168.280	3.062	10	70		AGIERN
CCCCC(=O)C1(OCC)CCCC1	159381408	573176294	/nfs/dbraw/zinc/17/62/94/573176294.db2.gz	XOGSPOCHLFMNBG-UHFFFAOYSA-N	0	0	198.306	3.095	10	70		AGIERN
CCCCC(=O)C1(OC)CCCCC1	159391797	573185150	/nfs/dbraw/zinc/18/51/50/573185150.db2.gz	HGCNUOPMJJZFPN-UHFFFAOYSA-N	0	0	198.306	3.095	10	70		AGIERN
CCC[C@@H]1CCC(F)(F)C1	218216432	573620217	/nfs/dbraw/zinc/62/02/17/573620217.db2.gz	HALJZSLYPDUGOF-SSDOTTSWSA-N	0	0	148.196	3.222	10	70		AGIERN
CCCC(=O)CSCC(C)(C)C	218265688	573700639	/nfs/dbraw/zinc/70/06/39/573700639.db2.gz	VPXMITHDNFMRPN-UHFFFAOYSA-N	0	0	188.336	3.135	10	70		AGIERN
CCCCCOc1cnn(C(C)C)c1	159963843	486974258	/nfs/dbraw/zinc/97/42/58/486974258.db2.gz	BIJQVQRPYNCIHT-UHFFFAOYSA-N	0	0	196.294	3.033	10	70		AGIERN
CCCC[C@@H](C)OC(=O)C(C)(C)C	218092979	583491701	/nfs/dbraw/zinc/49/17/01/583491701.db2.gz	ODHGALHDCYIJQY-SECBINFHSA-N	0	0	186.295	3.154	10	70		AGIERN
CCCC[C@H](C)OC(=O)C(C)(C)C	218093071	583492006	/nfs/dbraw/zinc/49/20/06/583492006.db2.gz	ODHGALHDCYIJQY-VIFPVBQESA-N	0	0	186.295	3.154	10	70		AGIERN
CNc1ccccc1CCC(C)C	218396831	490069962	/nfs/dbraw/zinc/06/99/62/490069962.db2.gz	TVHRXEGGBVRITN-UHFFFAOYSA-N	0	0	177.291	3.317	10	70		AGIERN
C[SiH](C)CC[C@@H]1CC=CCC1	206036227	491040425	/nfs/dbraw/zinc/04/04/25/491040425.db2.gz	PPHDPYIYXCZXBM-SNVBAGLBSA-N	0	0	168.356	3.220	10	70		AGIERN
CCCCCC[SiH](C)C	203172216	166860414	/nfs/dbraw/zinc/86/04/14/166860414.db2.gz	FCKFHVFZPCZMDQ-UHFFFAOYSA-N	0	0	144.334	3.053	10	70		AGIERN
Fc1cccc(O[C@@H]2C=CCCC2)c1	161156778	344186365	/nfs/dbraw/zinc/18/63/65/344186365.db2.gz	OKBNWSXVIZCVDJ-LLVKDONJSA-N	0	0	192.233	3.313	10	70		AGIERN
CCCC[C@H](CC)SC	217895404	344408141	/nfs/dbraw/zinc/40/81/41/344408141.db2.gz	DDHXWMIWYAKTQY-QMMMGPOBSA-N	0	0	146.299	3.318	10	70		AGIERN
CC[C@@H](C)[C@H](C)c1sccc1N	218196949	344410691	/nfs/dbraw/zinc/41/06/91/344410691.db2.gz	USBAEONYTJVOBH-SFYZADRCSA-N	0	0	183.320	3.480	10	70		AGIERN
CC(=O)c1ccc(F)c(CC(C)C)c1	159744985	344151822	/nfs/dbraw/zinc/15/18/22/344151822.db2.gz	XVVJSPDCIZHMAS-UHFFFAOYSA-N	0	0	194.249	3.227	10	70		AGIERN
CC[C@H]1CNc2cc(F)c(C)cc2C1	160365211	344163147	/nfs/dbraw/zinc/16/31/47/344163147.db2.gz	YUZKLGOZCGBOTB-SECBINFHSA-N	0	0	193.265	3.128	10	70		AGIERN
CC[C@@H]1CNc2cc(F)c(C)cc2C1	160365344	344163594	/nfs/dbraw/zinc/16/35/94/344163594.db2.gz	YUZKLGOZCGBOTB-VIFPVBQESA-N	0	0	193.265	3.128	10	70		AGIERN
CCONC1CC(C)(C)CC(C)(C)C1	160442925	344166585	/nfs/dbraw/zinc/16/65/85/344166585.db2.gz	HPDZFKIMVVQLKB-UHFFFAOYSA-N	0	0	199.338	3.132	10	70		AGIERN
Cc1coc2cc3c(cc12)CCC3	160624993	344171727	/nfs/dbraw/zinc/17/17/27/344171727.db2.gz	RHAZNECRJRAUNO-UHFFFAOYSA-N	0	0	172.227	3.230	10	70		AGIERN
COc1cc(C)cc2c(C)coc12	160622372	344171776	/nfs/dbraw/zinc/17/17/76/344171776.db2.gz	VAHKLJSZKCBSBA-UHFFFAOYSA-N	0	0	176.215	3.058	10	70		AGIERN
CCc1cccc2c(C)coc12	160628593	344172177	/nfs/dbraw/zinc/17/21/77/344172177.db2.gz	XICZLZUYFPOJIT-UHFFFAOYSA-N	0	0	160.216	3.304	10	70		AGIERN
Fc1cccc2c1ccn2CC1CC1	160654591	344173406	/nfs/dbraw/zinc/17/34/06/344173406.db2.gz	HXIUZGGJFHIEPO-UHFFFAOYSA-N	0	0	189.233	3.190	10	70		AGIERN
Fc1cccc(O[C@H]2C=CCCC2)c1	161156663	344186322	/nfs/dbraw/zinc/18/63/22/344186322.db2.gz	OKBNWSXVIZCVDJ-NSHDSACASA-N	0	0	192.233	3.313	10	70		AGIERN
Fc1cccc2c1C1(CCC1)CCN2	216788991	344399189	/nfs/dbraw/zinc/39/91/89/344399189.db2.gz	IHADXXKFEODAMI-UHFFFAOYSA-N	0	0	191.249	3.063	10	70		AGIERN
C1=CCC[C@@H]2CCC=C2CC1	216862623	344399762	/nfs/dbraw/zinc/39/97/62/344399762.db2.gz	HKLLKSMBLAQZOD-LLVKDONJSA-N	0	0	148.249	3.453	10	70		AGIERN
C1=CCC[C@H]2CCC=C2CC1	216862660	344399851	/nfs/dbraw/zinc/39/98/51/344399851.db2.gz	HKLLKSMBLAQZOD-NSHDSACASA-N	0	0	148.249	3.453	10	70		AGIERN
Fc1ccc(/C=C\[C@H]2CCCO2)cc1	217038590	344400154	/nfs/dbraw/zinc/40/01/54/344400154.db2.gz	FKESZOSYQRABRX-VVEJJEBESA-N	0	0	192.233	3.018	10	70		AGIERN
Fc1ccc(/C=C\[C@@H]2CCCO2)cc1	217038511	344400277	/nfs/dbraw/zinc/40/02/77/344400277.db2.gz	FKESZOSYQRABRX-JECSTDCCSA-N	0	0	192.233	3.018	10	70		AGIERN
FCOCc1ccc2ccccc2c1	217367931	344401404	/nfs/dbraw/zinc/40/14/04/344401404.db2.gz	OHQKTZXPFDAZNA-UHFFFAOYSA-N	0	0	190.217	3.283	10	70		AGIERN
CCCC[C@@H](CC)SC	217895325	344408019	/nfs/dbraw/zinc/40/80/19/344408019.db2.gz	DDHXWMIWYAKTQY-MRVPVSSYSA-N	0	0	146.299	3.318	10	70		AGIERN
CCC[C@@H](C)c1sccc1N	218196392	344410527	/nfs/dbraw/zinc/41/05/27/344410527.db2.gz	QYJIGEOPWPEHPB-SSDOTTSWSA-N	0	0	169.293	3.234	10	70		AGIERN
CCC[C@H](C)c1sccc1N	218196462	344410576	/nfs/dbraw/zinc/41/05/76/344410576.db2.gz	QYJIGEOPWPEHPB-ZETCQYMHSA-N	0	0	169.293	3.234	10	70		AGIERN
CC[C@@H](C)[C@@H](C)c1sccc1N	218196754	344410618	/nfs/dbraw/zinc/41/06/18/344410618.db2.gz	USBAEONYTJVOBH-HTQZYQBOSA-N	0	0	183.320	3.480	10	70		AGIERN
CC[C@H](C)[C@H](C)c1sccc1N	218197033	344410685	/nfs/dbraw/zinc/41/06/85/344410685.db2.gz	USBAEONYTJVOBH-YUMQZZPRSA-N	0	0	183.320	3.480	10	70		AGIERN
CC[C@H](C)[C@@H](C)c1sccc1N	218196840	344410686	/nfs/dbraw/zinc/41/06/86/344410686.db2.gz	USBAEONYTJVOBH-JGVFFNPUSA-N	0	0	183.320	3.480	10	70		AGIERN
CCOc1c(C)cc(F)cc1CC	218270087	344410988	/nfs/dbraw/zinc/41/09/88/344410988.db2.gz	YXRMBVDPGAZKLG-UHFFFAOYSA-N	0	0	182.238	3.095	10	70		AGIERN
C=C(C)C#C[SiH](C(C)C)C(C)C	584602520	346721532	/nfs/dbraw/zinc/72/15/32/346721532.db2.gz	MNAOMMGAPVKFBN-UHFFFAOYSA-N	0	0	180.367	3.152	10	70		AGIERN
CCCCCCC[SiH](C)C	584604898	346721906	/nfs/dbraw/zinc/72/19/06/346721906.db2.gz	BVVKPPYQSIDVFO-UHFFFAOYSA-N	0	0	158.361	3.444	10	70		AGIERN
CCCC[C@@H]1C=C[C@@H](O)CCCC1	217337471	573325251	/nfs/dbraw/zinc/32/52/51/573325251.db2.gz	UQZJHGLKIDOQID-RYUDHWBXSA-N	0	0	182.307	3.284	10	70		AGIERN