smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC([SiH3])OCC	200051228	167380051	/nfs/dbraw/zinc/38/00/51/167380051.db2.gz	NBBQQQJUOYRZCA-UHFFFAOYSA-N	0	0	134.251	-0.292	40	70		ABIBRN
CCOCCCNC(=O)C=C(N)N	217750878	167385960	/nfs/dbraw/zinc/38/59/60/167385960.db2.gz	LJIUIIALQCIVQR-UHFFFAOYSA-N	0	0	187.243	-0.145	40	70		ABIBRN
COC(=O)CC[SiH2]C(OC)OC	201239953	168088896	/nfs/dbraw/zinc/08/88/96/168088896.db2.gz	XZVHZMFBMZYMTK-UHFFFAOYSA-N	0	0	192.287	-0.287	40	70		ABIBRN
COCCCNC(=O)C=C(N)N	217740323	168154256	/nfs/dbraw/zinc/15/42/56/168154256.db2.gz	GMTHCVLZEXFRAI-UHFFFAOYSA-N	0	0	173.216	-0.535	40	70		ABIBRN
COCCNC(=O)C=C(N)N	217740192	168163776	/nfs/dbraw/zinc/16/37/76/168163776.db2.gz	FELROSZNBGNMSA-UHFFFAOYSA-N	0	0	159.189	-0.925	40	70		ABIBRN
COC[C@@H](C)NC(=O)C=C(N)N	217753513	168181146	/nfs/dbraw/zinc/18/11/46/168181146.db2.gz	UGKXLHOYWVVXIY-RXMQYKEDSA-N	0	0	173.216	-0.536	40	70		ABIBRN
COC[C@H](C)NC(=O)C=C(N)N	217753602	168188571	/nfs/dbraw/zinc/18/85/71/168188571.db2.gz	UGKXLHOYWVVXIY-YFKPBYRVSA-N	0	0	173.216	-0.536	40	70		ABIBRN
CO[C@@H]1CC[C@@](OC)(C(N)=O)O1	217701672	168208502	/nfs/dbraw/zinc/20/85/02/168208502.db2.gz	CJWICPXLKWQESW-FSPLSTOPSA-N	0	0	175.184	-0.403	40	70		ABIBRN
CO[C@@H]1CC[C@](OC)(C(N)=O)O1	217701496	168208802	/nfs/dbraw/zinc/20/88/02/168208802.db2.gz	CJWICPXLKWQESW-CAHLUQPWSA-N	0	0	175.184	-0.403	40	70		ABIBRN
CO[C@H]1CC[C@@](OC)(C(N)=O)O1	217701758	168218668	/nfs/dbraw/zinc/21/86/68/168218668.db2.gz	CJWICPXLKWQESW-VDTYLAMSSA-N	0	0	175.184	-0.403	40	70		ABIBRN
CO[C@H]1CC[C@](OC)(C(N)=O)O1	217701587	168219277	/nfs/dbraw/zinc/21/92/77/168219277.db2.gz	CJWICPXLKWQESW-IYSWYEEDSA-N	0	0	175.184	-0.403	40	70		ABIBRN
Cn1c(=O)oc2c(=O)[nH]ncc21	217722012	169029649	/nfs/dbraw/zinc/02/96/49/169029649.db2.gz	VGLDKVQGKTZGAU-UHFFFAOYSA-N	0	0	167.124	-0.373	40	70		ABIBRN
Cn1ncc2c(oc(=O)n2C)c1=O	217722125	169064559	/nfs/dbraw/zinc/06/45/59/169064559.db2.gz	JYZVIRGAJDWCSH-UHFFFAOYSA-N	0	0	181.151	-0.775	40	70		ABIBRN
Cn1nnnc1C(=O)NC(C)(C)C	218734042	169069371	/nfs/dbraw/zinc/06/93/71/169069371.db2.gz	KQLQMBMFOSZZRW-UHFFFAOYSA-N	0	0	183.215	-0.262	40	70		ABIBRN
NC(N)=CC(=O)NC[C@H]1CCCO1	217741736	169135733	/nfs/dbraw/zinc/13/57/33/169135733.db2.gz	FUEZFXKAXGWEFS-ZCFIWIBFSA-N	0	0	185.227	-0.392	40	70		ABIBRN
NC(N)=CC(=O)NC[C@@H]1CCCO1	217741666	169136187	/nfs/dbraw/zinc/13/61/87/169136187.db2.gz	FUEZFXKAXGWEFS-LURJTMIESA-N	0	0	185.227	-0.392	40	70		ABIBRN
ONCc1ncccn1	217568879	169442215	/nfs/dbraw/zinc/44/22/15/169442215.db2.gz	WDULYQVJFIBRDP-UHFFFAOYSA-N	0	0	125.131	-0.045	40	70		ABIBRN
CC(C)NC(=O)c1nnnn1C	218733966	344415732	/nfs/dbraw/zinc/41/57/32/344415732.db2.gz	SWBCXKPUYBEHSA-UHFFFAOYSA-N	0	0	169.188	-0.652	40	70		ABIBRN
CN(C)C(C[SiH3])(N(C)C)N(C)C	200070320	344362440	/nfs/dbraw/zinc/36/24/40/344362440.db2.gz	WDJBOLMIRPMHEV-UHFFFAOYSA-N	0	0	189.379	-0.891	40	70		ABIBRN
CN(C)C(/C=C/[SiH3])N(C)C	204928559	344370396	/nfs/dbraw/zinc/37/03/96/344370396.db2.gz	BXCKRTFSZSXWRM-AATRIKPKSA-N	0	0	158.321	-0.685	40	70		ABIBRN
CCCNC(=O)C=C(N)N	217738903	344405596	/nfs/dbraw/zinc/40/55/96/344405596.db2.gz	VQTJBHDIQWAJEV-UHFFFAOYSA-N	0	0	143.190	-0.161	40	70		ABIBRN
CN1CCN(C(=O)C=C(N)N)CC1	217749909	344405599	/nfs/dbraw/zinc/40/55/99/344405599.db2.gz	WJYNNZJVOKYANR-UHFFFAOYSA-N	0	0	184.243	-0.914	40	70		ABIBRN
CC(C)NC(=O)C=C(N)N	217739018	344405697	/nfs/dbraw/zinc/40/56/97/344405697.db2.gz	OOWKNIOCGJEOHE-UHFFFAOYSA-N	0	0	143.190	-0.163	40	70		ABIBRN
Cc1[nH]nc(N)c1CC(=O)N(C)C	217814348	344406584	/nfs/dbraw/zinc/40/65/84/344406584.db2.gz	GXPYRWWHJLLVFN-UHFFFAOYSA-N	0	0	182.227	-0.069	40	70		ABIBRN
CNC(=O)Cc1c(N)n[nH]c1C	217814546	344406588	/nfs/dbraw/zinc/40/65/88/344406588.db2.gz	MFPRTXVDNWSKQZ-UHFFFAOYSA-N	0	0	168.200	-0.411	40	70		ABIBRN
ONCc1ccnnc1	217568763	371711139	/nfs/dbraw/zinc/71/11/39/371711139.db2.gz	FHLSGNKSDSXFDW-UHFFFAOYSA-N	0	0	125.131	-0.045	40	70		ABIBRN
C=Cn1nnnc1CN(C)C	217744117	371712331	/nfs/dbraw/zinc/71/23/31/371712331.db2.gz	WXHJQPUSSSMLBH-UHFFFAOYSA-N	0	0	153.189	-0.165	40	70		ABIBRN
[SiH2]c1ccccc1	195757054	375401594	/nfs/dbraw/zinc/40/15/94/375401594.db2.gz	JAZKZOWBOMBYIX-UHFFFAOYSA-N	0	0	107.208	-0.055	40	70		ABIBRN