smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC[C@H]1C[C@@H]1C)c1cscn1	161170665	538057649	/nfs/dbraw/zinc/05/76/49/538057649.db2.gz	YZYIDRQNTRNBJO-XHNCKOQMSA-N	0	3	196.319	2.450	10	70		AEIEHN
C[C@H](NC[C@@H]1C[C@@H]1C)c1cscn1	161170908	538058159	/nfs/dbraw/zinc/05/81/59/538058159.db2.gz	YZYIDRQNTRNBJO-CIUDSAMLSA-N	0	3	196.319	2.450	10	70		AEIEHN
C[C@H](NC[C@@H]1C[C@H]1C)c1cscn1	161170789	538058212	/nfs/dbraw/zinc/05/82/12/538058212.db2.gz	YZYIDRQNTRNBJO-VGMNWLOBSA-N	0	3	196.319	2.450	10	70		AEIEHN
C[C@H](NC[C@H]1C[C@H]1C)c1cscn1	161170560	538058412	/nfs/dbraw/zinc/05/84/12/538058412.db2.gz	YZYIDRQNTRNBJO-HRDYMLBCSA-N	0	3	196.319	2.450	10	70		AEIEHN
Cc1nc(C)c(CNCC(C)C)o1	159421300	486973960	/nfs/dbraw/zinc/97/39/60/486973960.db2.gz	YRCWRDVBUNGCTR-UHFFFAOYSA-N	0	3	182.267	2.037	10	70		AEIEHN
CCCCNCc1oc(C)nc1C	159421587	344144564	/nfs/dbraw/zinc/14/45/64/344144564.db2.gz	YFDOLZGGCXMUNP-UHFFFAOYSA-N	0	3	182.267	2.181	10	70		AEIEHN
CC[C@H]1CCSC(NC2CC2)=N1	218008935	344408930	/nfs/dbraw/zinc/40/89/30/344408930.db2.gz	GSESBHXAHZMYLN-ZETCQYMHSA-N	0	3	184.308	2.010	10	70		AEIEHN
CC[C@@H]1CCSC(N[C@H]2C[C@@H]2C)=N1	218072281	344409906	/nfs/dbraw/zinc/40/99/06/344409906.db2.gz	SATSUCKNLPPOFC-YIZRAAEISA-N	0	3	198.335	2.256	10	70		AEIEHN
CC[C@@H](C)NCc1oc(C)nc1C	159425175	344144590	/nfs/dbraw/zinc/14/45/90/344144590.db2.gz	CFTJFHMMTAOVBG-SSDOTTSWSA-N	0	3	182.267	2.180	10	70		AEIEHN
CC[C@H](C)NCc1oc(C)nc1C	159425320	344144619	/nfs/dbraw/zinc/14/46/19/344144619.db2.gz	CFTJFHMMTAOVBG-ZETCQYMHSA-N	0	3	182.267	2.180	10	70		AEIEHN
Cc1[nH]c(N)nc1-c1ccccc1F	160413045	344165256	/nfs/dbraw/zinc/16/52/56/344165256.db2.gz	JDAWCEFMZFDTLX-UHFFFAOYSA-N	0	3	191.209	2.106	10	70		AEIEHN
Cc1occc1C(=N)NC(C)(C)C	160446769	344166461	/nfs/dbraw/zinc/16/64/61/344166461.db2.gz	CCPUXHKWMUPOOO-UHFFFAOYSA-N	0	3	180.251	2.301	10	70		AEIEHN
c1ccc2c3c(cnc2c1)NCCN3	160455585	344166829	/nfs/dbraw/zinc/16/68/29/344166829.db2.gz	KQRWECIRZKMQDA-UHFFFAOYSA-N	0	3	185.230	2.072	10	70		AEIEHN
CCCN1CCC[C@@](C)(F)C1	217530374	344402856	/nfs/dbraw/zinc/40/28/56/344402856.db2.gz	JDCWVSKQJLBFIP-SECBINFHSA-N	0	3	159.248	2.220	10	70		AEIEHN
CCCN1CCC[C@](C)(F)C1	217530435	344402900	/nfs/dbraw/zinc/40/29/00/344402900.db2.gz	JDCWVSKQJLBFIP-VIFPVBQESA-N	0	3	159.248	2.220	10	70		AEIEHN
CC[C@H]1CCSC(NC(C)C)=N1	218007101	344408818	/nfs/dbraw/zinc/40/88/18/344408818.db2.gz	URXYOSKCHHAIGL-QMMMGPOBSA-N	0	3	186.324	2.256	10	70		AEIEHN
CC[C@@H]1CCSC(NC(C)C)=N1	218007009	344408887	/nfs/dbraw/zinc/40/88/87/344408887.db2.gz	URXYOSKCHHAIGL-MRVPVSSYSA-N	0	3	186.324	2.256	10	70		AEIEHN
CC[C@@H]1CCSC(NC2CC2)=N1	218008863	344408912	/nfs/dbraw/zinc/40/89/12/344408912.db2.gz	GSESBHXAHZMYLN-SSDOTTSWSA-N	0	3	184.308	2.010	10	70		AEIEHN
CC[C@@H]1CCSC(N[C@@H]2C[C@@H]2C)=N1	218072104	344409303	/nfs/dbraw/zinc/40/93/03/344409303.db2.gz	SATSUCKNLPPOFC-DJLDLDEBSA-N	0	3	198.335	2.256	10	70		AEIEHN
CCC[C@H]1CN=C(NC2CCC2)S1	218071445	344409316	/nfs/dbraw/zinc/40/93/16/344409316.db2.gz	HRJYSPGKUJXLDJ-VIFPVBQESA-N	0	3	198.335	2.400	10	70		AEIEHN
CCC[C@@H]1CN=C(NC2CCC2)S1	218071375	344409337	/nfs/dbraw/zinc/40/93/37/344409337.db2.gz	HRJYSPGKUJXLDJ-SECBINFHSA-N	0	3	198.335	2.400	10	70		AEIEHN
CC[C@H]1CCSC(NC2CCC2)=N1	218071648	344409345	/nfs/dbraw/zinc/40/93/45/344409345.db2.gz	MCFWBGLHGLIOCD-QMMMGPOBSA-N	0	3	198.335	2.400	10	70		AEIEHN
CC[C@@H]1CCSC(NC2CCC2)=N1	218071555	344409432	/nfs/dbraw/zinc/40/94/32/344409432.db2.gz	MCFWBGLHGLIOCD-MRVPVSSYSA-N	0	3	198.335	2.400	10	70		AEIEHN
CC[C@@H]1CCSC(NC2(C)CC2)=N1	218130748	344409661	/nfs/dbraw/zinc/40/96/61/344409661.db2.gz	KQFAAKUMEBGSCB-MRVPVSSYSA-N	0	3	198.335	2.400	10	70		AEIEHN
CC[C@H]1CCSC(NC2(C)CC2)=N1	218130822	344409814	/nfs/dbraw/zinc/40/98/14/344409814.db2.gz	KQFAAKUMEBGSCB-QMMMGPOBSA-N	0	3	198.335	2.400	10	70		AEIEHN
CN(C)Cc1ccc2[nH]ccc2c1	218337257	344411529	/nfs/dbraw/zinc/41/15/29/344411529.db2.gz	DWLHRRNZBOFOJP-UHFFFAOYSA-N	0	3	174.247	2.230	10	70		AEIEHN