smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c(C(C)C)cc1/N=C/c1cccnc1	ZINC000095593101	185014117	/nfs/dbraw/zinc/01/41/17/185014117.db2.gz	KVVIPQDCZACOGS-VCHYOVAHSA-N	-1	3	254.333	3.970	1	30		CHEFHM
Cc1cc(/N=C/c2ccc(O)c([O-])c2)c2ccccc2n1	ZINC000005587486	170116469	/nfs/dbraw/zinc/11/64/69/170116469.db2.gz	BIEPHDZCYSYPIQ-VCHYOVAHSA-N	-1	3	278.311	3.705	1	30		CHEFHM
N#Cc1c(N)nc(-c2ccsc2)cc1-c1ccccc1[O-]	ZINC000045319680	175358990	/nfs/dbraw/zinc/35/89/90/175358990.db2.gz	QGXXVRYZPBMLGC-UHFFFAOYSA-N	-1	3	293.351	3.637	1	30		CHEFHM
CC[C@@H](O)c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000006412583	170199550	/nfs/dbraw/zinc/19/95/50/170199550.db2.gz	LMYDDUSTKCNFEN-QAEAHILHSA-N	-1	3	255.317	3.586	1	30		CHEFHM
CC1(C)[C@H]2C[C@@H]1C(=O)C=C2/C=C/c1ccccc1[O-]	ZINC000096931828	185131920	/nfs/dbraw/zinc/13/19/20/185131920.db2.gz	OSAJCDLCOJMHOY-JYASZMECSA-N	-1	3	254.329	3.577	1	30		CHEFHM
COc1cc2c(cc1C)c([O-])cc1c2C=CC(=O)C1(C)C	ZINC000095552524	185007894	/nfs/dbraw/zinc/00/78/94/185007894.db2.gz	LHHLMRGWOMWQSU-UHFFFAOYSA-N	-1	3	282.339	3.736	1	30		CHEFHM
CCN(CC)c1ccc(C=[NH+][N-]c2cccc(C)c2)c([O-])c1	ZINC000004867213	260016529	/nfs/dbraw/zinc/01/65/29/260016529.db2.gz	UJOCDIJCGVFGHE-CPNJWEJPSA-N	-1	3	297.402	3.993	1	30		CHEFHM
CCCCCCCCOC(=O)c1ccc([O-])c(O)c1	ZINC000043356622	175023787	/nfs/dbraw/zinc/02/37/87/175023787.db2.gz	BPRDKTKLZBOBGP-UHFFFAOYSA-N	-1	3	266.337	3.615	1	30		CHEFHM
COc1c(C)c(O)c(C)c([O-])c1C(=O)/C=C/c1ccccc1	ZINC000014779988	560099201	/nfs/dbraw/zinc/09/92/01/560099201.db2.gz	TZEQDSMFACWASC-MDZDMXLPSA-N	-1	3	298.338	3.619	1	30	endogenous,in-man	CHEFHM
Cc1cc([O-])c(C(C)C)cc1/N=C/c1ccccn1	ZINC000095594469	185014664	/nfs/dbraw/zinc/01/46/64/185014664.db2.gz	BSBRNQPIFZWJGS-VCHYOVAHSA-N	-1	3	254.333	3.970	1	30		CHEFHM
O=C(N[O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000045285058	175353637	/nfs/dbraw/zinc/35/36/37/175353637.db2.gz	MITRLTIJDHOUFN-UHFFFAOYSA-N	-1	3	296.153	3.631	1	30	in-vivo	CHEFHM
CCCCCC/C=C/COC(=O)c1ccc([O-])c(O)c1	ZINC000043366155	175027308	/nfs/dbraw/zinc/02/73/08/175027308.db2.gz	PBEBHODSCJDNIT-BQYQJAHWSA-N	-1	3	278.348	3.781	1	30		CHEFHM
COc1ccc(C(/C=C/c2cccs2)=N/[O-])cc1	ZINC000084596296	178901731	/nfs/dbraw/zinc/90/17/31/178901731.db2.gz	BCXUWUSLCOUART-IDRAWEHWSA-N	-1	3	259.330	3.648	1	30		CHEFHM
CC[C@H](O)c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000001862253	169761323	/nfs/dbraw/zinc/76/13/23/169761323.db2.gz	LMYDDUSTKCNFEN-VUVCFOEZSA-N	-1	3	255.317	3.586	1	30		CHEFHM
CCn1c2cc(OC)ccc2c(C#N)c1-c1ccc([O-])cc1	ZINC000096908669	185128007	/nfs/dbraw/zinc/12/80/07/185128007.db2.gz	RGGXGNRCGMVODX-UHFFFAOYSA-N	-1	3	292.338	3.914	1	30		CHEFHM
CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccccc2[O-])cc1	ZINC000071317627	176122142	/nfs/dbraw/zinc/12/21/42/176122142.db2.gz	USJRFGVUIOYRKP-UTLPMFLDSA-N	-1	3	293.366	3.754	1	30		CHEFHM
C=CCc1cc([O-])cc2nc(-c3ccc(O)cc3)oc21	ZINC000013583686	170565682	/nfs/dbraw/zinc/56/56/82/170565682.db2.gz	XQORYXRHJJULMI-UHFFFAOYSA-N	-1	3	267.284	3.635	1	30	in-vivo	CHEFHM
Cc1ccc(/C=C2\Oc3cccc([O-])c3C2=O)c(C)c1	ZINC000072107035	176316478	/nfs/dbraw/zinc/31/64/78/176316478.db2.gz	LTEITSMNMGOWIE-DHDCSXOGSA-N	-1	3	266.296	3.625	1	30		CHEFHM
Cc1ccc(C23C[C@@H]4C[C@@H](CC(CC(=O)N[O-])(C4)C2)C3)cc1	ZINC000095592718	185014493	/nfs/dbraw/zinc/01/44/93/185014493.db2.gz	GKOJBLHCGZKDNO-MYMYQCDVSA-N	-1	3	299.414	3.729	1	30		CHEFHM
Cc1cc(/N=C/c2cccnc2)c(C(C)C)cc1[O-]	ZINC000095597011	185015738	/nfs/dbraw/zinc/01/57/38/185015738.db2.gz	SJBLIQMHBRMZSP-VCHYOVAHSA-N	-1	3	254.333	3.970	1	30		CHEFHM
[O-]c1cc(O)ccc1C=NNc1ccc2ccccc2c1	ZINC000005669954	170126017	/nfs/dbraw/zinc/12/60/17/170126017.db2.gz	DPTJJWNFQHUYCX-WOJGMQOQSA-N	-1	3	278.311	3.697	1	30		CHEFHM
Cc1cc(=O)oc2cc(/N=C/c3ccc([O-])cc3)ccc12	ZINC000045287070	175354000	/nfs/dbraw/zinc/35/40/00/175354000.db2.gz	IOXOEIPBYDGCDQ-VCHYOVAHSA-N	-1	3	279.295	3.558	1	30		CHEFHM
Cc1cc(/N=C/c2ccccn2)c(C(C)C)cc1[O-]	ZINC000095595130	185014464	/nfs/dbraw/zinc/01/44/64/185014464.db2.gz	LJCOTSHFVDHRCU-VCHYOVAHSA-N	-1	3	254.333	3.970	1	30		CHEFHM
[O-]c1ccccc1/C=N/N=C\C=C/c1ccccc1	ZINC000006060517	170173334	/nfs/dbraw/zinc/17/33/34/170173334.db2.gz	BFTRWEAEANFJBK-JNRBZCMBSA-N	-1	3	250.301	3.510	1	30		CHEFHM
CCCCCC/C=C\COC(=O)c1ccc([O-])c(O)c1	ZINC000043910742	175123202	/nfs/dbraw/zinc/12/32/02/175123202.db2.gz	PBEBHODSCJDNIT-FPLPWBNLSA-N	-1	3	278.348	3.781	1	30		CHEFHM
COc1ccc(/C=C/C2=CC(=O)[C@H]3C[C@@H]2C3(C)C)c([O-])c1	ZINC000096931830	185132091	/nfs/dbraw/zinc/13/20/91/185132091.db2.gz	VQUQPRLQTBCGFL-SSBHQGKESA-N	-1	3	284.355	3.585	1	30		CHEFHM
C=C(C)OC(=O)N1c2cc(Cl)ccc2[N-]C(=S)[C@@H]1C	ZINC000013474535	136378968	/nfs/dbraw/zinc/37/89/68/136378968.db2.gz	WTCCPYFMSIHIMT-QMMMGPOBSA-N	-1	3	296.779	3.958	1	30		CHEFHM
Cc1cc(=O)oc2cc(/N=C/c3ccccc3[O-])ccc12	ZINC000022728265	171396772	/nfs/dbraw/zinc/39/67/72/171396772.db2.gz	HBTSRRQZYVYNDA-VCHYOVAHSA-N	-1	3	279.295	3.558	1	30		CHEFHM
C[C@]12CC[C@@H]3c4ccc([O-])c(C#N)c4CC[C@H]3[C@@H]1CCC2=O	ZINC000072127890	176321048	/nfs/dbraw/zinc/32/10/48/176321048.db2.gz	MHNCXJYXUMASPR-ZLHSVIROSA-N	-1	3	295.382	3.689	1	30		CHEFHM