smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)[O-]	ZINC000005023019	181191564	/nfs/dbraw/zinc/19/15/64/181191564.db2.gz	VITYQFLQXINAEE-UHFFFAOYSA-N	-1	1	320.257	-0.092	50	10		DBCAMM
NC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000000114636	374233638	/nfs/dbraw/zinc/23/36/38/374233638.db2.gz	LERBSTKHDLUSPN-UHFFFAOYSA-N	-1	1	305.315	-0.535	50	10		DBCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCO	ZINC000002745075	382632060	/nfs/dbraw/zinc/63/20/60/382632060.db2.gz	XGRYJZDLJLNFAC-UHFFFAOYSA-N	-1	1	322.342	-0.019	50	10		DBCAMM
CC[C@H](C)N1C(=O)/C(=C/NN2CCOCC2)C(=O)[N-]C1=S	ZINC000006555289	280731981	/nfs/dbraw/zinc/73/19/81/280731981.db2.gz	VYSRZROOEYRJJH-WKMLFNHBSA-N	-1	1	312.395	-0.251	50	10		DBCAMM
COCCN1C(=O)C(=CNc2cnccn2)C(=O)[N-]C1=S	ZINC000105404266	803805376	/nfs/dbraw/zinc/80/53/76/803805376.db2.gz	RJOMUSLGBQNBBN-SOFGYWHQSA-N	-1	1	307.335	-0.338	50	10		DBCAMM
CCN1C(=O)C(=CNCCN2CCOCC2)C(=O)[N-]C1=S	ZINC000019995566	182175468	/nfs/dbraw/zinc/17/54/68/182175468.db2.gz	KQLQHYGCWFEWJY-MDZDMXLPSA-N	-1	1	312.395	-0.945	50	10		DBCAMM
CC(=O)N[C@@H](CSN=Nc1[nH]cnc1C(N)=O)C(=O)[O-]	ZINC000008565729	382661587	/nfs/dbraw/zinc/66/15/87/382661587.db2.gz	PLDBJHKVWNUEQW-HTZUBCSESA-N	-1	1	300.300	-0.170	50	10		DBCAMM
Cn1c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2n(C)c1=O	ZINC000000207727	392349912	/nfs/dbraw/zinc/34/99/12/392349912.db2.gz	IEMMGOSTRULSHH-UHFFFAOYSA-N	-1	1	316.342	-0.209	50	10		DBCAMM
CN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)[N-]C1=S	ZINC000004723767	181142358	/nfs/dbraw/zinc/14/23/58/181142358.db2.gz	FCMVNMIXBYCWKF-UXBLZVDNSA-N	-1	1	319.342	-0.193	50	10		DBCAMM
CC(=O)N[C@H](CSN=Nc1[nH]cnc1C(N)=O)C(=O)[O-]	ZINC000016948710	182065592	/nfs/dbraw/zinc/06/55/92/182065592.db2.gz	PLDBJHKVWNUEQW-QMHYPJCPSA-N	-1	1	300.300	-0.170	50	10		DBCAMM
CC1(C)OC(=O)C(=CN[C@@H](Cc2cnc[nH]2)C(=O)[O-])C(=O)O1	ZINC000100751463	374468508	/nfs/dbraw/zinc/46/85/08/374468508.db2.gz	NQVOUYKJEYHYNQ-VIFPVBQESA-N	-1	1	309.278	-0.285	50	10		DBCAMM
O=C1[N-]C(=S)N(Cc2ccccc2)C(=O)C1=CNCCO	ZINC000101087612	193807348	/nfs/dbraw/zinc/80/73/48/193807348.db2.gz	KKAMQQZFYVMVML-FLIBITNWSA-N	-1	1	305.359	-0.104	50	10		DBCAMM
CCCCN1C(=O)[N-]C(=O)C(=CNN2CCN(C)CC2)C1=O	ZINC000020288906	182203074	/nfs/dbraw/zinc/20/30/74/182203074.db2.gz	ITELGGRFLUILPW-ZHACJKMWSA-N	-1	1	309.370	-0.295	50	10		DBCAMM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC=C1C(=O)NC(=O)NC1=O	ZINC000020572257	182234306	/nfs/dbraw/zinc/23/43/06/182234306.db2.gz	JEGVDVFVLWXFJL-JTQLQIEISA-N	-1	1	319.273	-0.773	50	10		DBCAMM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC=C1C(=O)NC(=O)NC1=O	ZINC000020572255	182233964	/nfs/dbraw/zinc/23/39/64/182233964.db2.gz	JEGVDVFVLWXFJL-SNVBAGLBSA-N	-1	1	319.273	-0.773	50	10		DBCAMM
COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCC(=O)[O-]	ZINC000002978254	374258204	/nfs/dbraw/zinc/25/82/04/374258204.db2.gz	SXEUZGZXFWEUPE-UHFFFAOYSA-N	-1	1	320.257	-0.092	50	10		DBCAMM
CC[C@@H](C)N1C(=O)/C(=C/NN2CCOCC2)C(=O)[N-]C1=S	ZINC000006554853	280104044	/nfs/dbraw/zinc/10/40/44/280104044.db2.gz	VYSRZROOEYRJJH-NCXKZPMSSA-N	-1	1	312.395	-0.251	50	10		DBCAMM
CC1(C)OC(=O)C(=CN[C@H](Cc2cnc[nH]2)C(=O)[O-])C(=O)O1	ZINC000100751465	374468069	/nfs/dbraw/zinc/46/80/69/374468069.db2.gz	NQVOUYKJEYHYNQ-SECBINFHSA-N	-1	1	309.278	-0.285	50	10		DBCAMM
O=C1[N-]C(=S)NC(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000101082431	374886431	/nfs/dbraw/zinc/88/64/31/374886431.db2.gz	ZXMXHPKFBIFNQT-UHFFFAOYSA-N	-1	1	305.315	-0.080	50	10		DBCAMM
O=C1[N-]C(=S)N(C2CC2)C(=O)C1=CNCCN1CCOCC1	ZINC000020330777	182208518	/nfs/dbraw/zinc/20/85/18/182208518.db2.gz	DSALUWLYJHWBLY-PKNBQFBNSA-N	-1	1	324.406	-0.802	50	10		DBCAMM
O=C1[N-]C(=S)N(Cc2ccccc2)C(=O)C1=CNCCO	ZINC000005928719	181297352	/nfs/dbraw/zinc/29/73/52/181297352.db2.gz	KKAMQQZFYVMVML-DHZHZOJOSA-N	-1	1	305.359	-0.104	50	10		DBCAMM