smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Br)c([O-])c(/C=N/c2c(C)cccc2C)c1	ZINC000006302566	181327722	/nfs/dbraw/zinc/32/77/22/181327722.db2.gz	UKWCCAHXKXHSBW-GIJQJNRQSA-N	-1	1	318.214	4.831	40	30		DJEBMM
CCCCCCCC/C(=N\[O-])c1ccc2cccnc2c1O	ZINC000100935875	256566913	/nfs/dbraw/zinc/56/69/13/256566913.db2.gz	OWTXQJHJSASXHJ-CAPFRKAQSA-N	-1	1	300.402	4.869	40	30		DJEBMM
CCCCCC[C@H](C)CC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000100685659	563552812	/nfs/dbraw/zinc/55/28/12/563552812.db2.gz	YNBCGOASIORCRW-ZDUSSCGKSA-N	-1	1	300.398	4.874	40	30		DJEBMM
[O-]/N=C/c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1	ZINC000041127068	183168897	/nfs/dbraw/zinc/16/88/97/183168897.db2.gz	KIZNBHGXJNVVPD-REZTVBANSA-N	-1	1	307.136	4.610	40	30		DJEBMM
CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1[O-]	ZINC000006958834	563595998	/nfs/dbraw/zinc/59/59/98/563595998.db2.gz	YBJAHCVORHUVAR-VXLYETTFSA-N	-1	1	303.789	4.812	40	30		DJEBMM
Cc1ccc(/N=C/c2cc(C)cc(Br)c2[O-])c(C)c1	ZINC000100376107	257272794	/nfs/dbraw/zinc/27/27/94/257272794.db2.gz	CAHCREWUOFOMNS-GIJQJNRQSA-N	-1	1	318.214	4.831	40	30		DJEBMM
O=C(/C(=C/c1ccc(F)cc1)c1ccccc1)c1ccc([O-])cc1	ZINC000004963824	181180746	/nfs/dbraw/zinc/18/07/46/181180746.db2.gz	ZQVQDZSYELVEIM-XSFVSMFZSA-N	-1	1	318.347	4.955	40	30		DJEBMM
CCOc1ccc(/N=C/c2cc(Cl)c([O-])c(OCC)c2)cc1	ZINC000006962140	563921753	/nfs/dbraw/zinc/92/17/53/563921753.db2.gz	GYJQJEKUDXTZJM-YBFXNURJSA-N	-1	1	319.788	4.594	40	30		DJEBMM
CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1[O-]	ZINC000006958856	563921765	/nfs/dbraw/zinc/92/17/65/563921765.db2.gz	FININDWONNNMPP-VXLYETTFSA-N	-1	1	303.789	4.812	40	30		DJEBMM
[O-]c1cccc(/C=N/c2ccc(/C=N/c3ccccc3)cc2)c1O	ZINC000600893859	563538105	/nfs/dbraw/zinc/53/81/05/563538105.db2.gz	GRADGAVRYLIUJB-JFMUQQRKSA-N	-1	1	316.360	4.599	40	30		DJEBMM
COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1[O-]	ZINC000409217575	257220464	/nfs/dbraw/zinc/22/04/64/257220464.db2.gz	QHCOMUSVQDYBGJ-QGMBQPNBSA-N	-1	1	310.180	4.767	40	30		DJEBMM
[O-]/N=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1	ZINC000409045197	257224248	/nfs/dbraw/zinc/22/42/48/257224248.db2.gz	FPJRQIRUIBEMHK-CNHKJKLMSA-N	-1	1	314.143	4.520	40	30		DJEBMM
[O-]c1cc(Cl)ccc1/N=C\c1ccc(N2CCCCC2)cc1	ZINC000408960025	257225117	/nfs/dbraw/zinc/22/51/17/257225117.db2.gz	ICTUKCOOKLAYKN-MOSHPQCFSA-N	-1	1	314.816	4.787	40	30		DJEBMM
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=N/[O-])c1	ZINC000408937094	257225209	/nfs/dbraw/zinc/22/52/09/257225209.db2.gz	HUJGJWOCUCAHLM-CIAFOILYSA-N	-1	1	305.377	4.844	40	30		DJEBMM
Cc1cccc([N+](=O)[O-])c1/N=C/c1c([O-])ccc2ccccc12	ZINC000005755864	181281119	/nfs/dbraw/zinc/28/11/19/181281119.db2.gz	XWSZCAUKEYBQFD-YBFXNURJSA-N	-1	1	306.321	4.513	40	30		DJEBMM
[O-]/N=C/c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1	ZINC000041127497	183169729	/nfs/dbraw/zinc/16/97/29/183169729.db2.gz	JUFSYNPHHKOTNC-REZTVBANSA-N	-1	1	307.136	4.610	40	30		DJEBMM
CCCCCC[C@@H](C)CC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000008581191	563348073	/nfs/dbraw/zinc/34/80/73/563348073.db2.gz	YNBCGOASIORCRW-CYBMUJFWSA-N	-1	1	300.398	4.874	40	30		DJEBMM
CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1[O-]	ZINC000006958826	563596456	/nfs/dbraw/zinc/59/64/56/563596456.db2.gz	RNPFVNTZRAXJHV-VXLYETTFSA-N	-1	1	303.789	4.812	40	30		DJEBMM
CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1[O-]	ZINC000006958851	563921822	/nfs/dbraw/zinc/92/18/22/563921822.db2.gz	QRXLDLUCQGWOLE-VXLYETTFSA-N	-1	1	303.789	4.812	40	30		DJEBMM
Cc1cc(Cl)c([O-])c(/C=N/C23CC4CC(CC(C4)C2)C3)c1	ZINC000006500590	181346309	/nfs/dbraw/zinc/34/63/09/181346309.db2.gz	UEEGSXYCLVUWHT-KEBDBYFISA-N	-1	1	303.833	4.742	40	30		DJEBMM
[O-]/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1	ZINC000409044307	257224239	/nfs/dbraw/zinc/22/42/39/257224239.db2.gz	BTNJTUCNEGNDLN-CNHKJKLMSA-N	-1	1	314.143	4.520	40	30		DJEBMM
O=C(/C(=C\c1ccc(F)cc1)c1ccccc1)c1ccc([O-])cc1	ZINC000017421648	563414968	/nfs/dbraw/zinc/41/49/68/563414968.db2.gz	ZQVQDZSYELVEIM-ZHZULCJRSA-N	-1	1	318.347	4.955	40	30		DJEBMM
CCCCC/C(=N\[O-])c1ccc(OCc2ccccc2)cc1O	ZINC000005417777	181241670	/nfs/dbraw/zinc/24/16/70/181241670.db2.gz	FNLRTKJLXTWNLU-CZIZESTLSA-N	-1	1	313.397	4.730	40	30		DJEBMM
Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(Cl)cc1[O-]	ZINC000408961682	257225415	/nfs/dbraw/zinc/22/54/15/257225415.db2.gz	UOALNKRQULIQRK-NDENLUEZSA-N	-1	1	314.816	4.705	40	30		DJEBMM
CCCCCCCCOC(=O)c1cc(Cl)c([O-])c(OC)c1	ZINC000001747310	563294352	/nfs/dbraw/zinc/29/43/52/563294352.db2.gz	IGWGSQPMOYAFTJ-UHFFFAOYSA-N	-1	1	314.809	4.572	40	30		DJEBMM
CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1[O-]	ZINC000008084263	563604484	/nfs/dbraw/zinc/60/44/84/563604484.db2.gz	FMMCIDUPLGWMIE-YBFXNURJSA-N	-1	1	303.789	4.757	40	30		DJEBMM
[O-]c1cc(Cl)ccc1/N=C\c1ccc(N2CCCC2)c(F)c1	ZINC000409065236	257223622	/nfs/dbraw/zinc/22/36/22/257223622.db2.gz	GYYATNBERDMDHR-JAIQZWGSSA-N	-1	1	318.779	4.536	40	30		DJEBMM
[O-]/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F	ZINC000409045012	257224140	/nfs/dbraw/zinc/22/41/40/257224140.db2.gz	XJLFZVWYESJHBU-CNHKJKLMSA-N	-1	1	314.143	4.520	40	30		DJEBMM
[O-]c1ccccc1/N=C/c1ccc(/C=N/c2ccccc2O)s1	ZINC000169502984	340526826	/nfs/dbraw/zinc/52/68/26/340526826.db2.gz	RHJIOVOWEUNXJD-AYKLPDECSA-N	-1	1	322.389	4.661	40	30		DJEBMM
Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=N/[O-])cc1	ZINC000409047649	257224167	/nfs/dbraw/zinc/22/41/67/257224167.db2.gz	PFBXKKYBCIHNBG-QGMBQPNBSA-N	-1	1	310.180	4.689	40	30		DJEBMM
Cc1cc(Cl)c([O-])c(/C=N/c2ccccc2N2CCCC2)c1	ZINC000000569674	563267175	/nfs/dbraw/zinc/26/71/75/563267175.db2.gz	WRVHUMGHGAUSAE-UDWIEESQSA-N	-1	1	314.816	4.705	40	30		DJEBMM
CC1(c2ccccc2)CC(/C(=N\[O-])c2cc3ccccc3o2)C1	ZINC000015230052	563408458	/nfs/dbraw/zinc/40/84/58/563408458.db2.gz	XDDAYFAEQGVCGV-XUTLUUPISA-N	-1	1	305.377	4.979	40	30		DJEBMM
[O-]/N=C\c1cc(Cl)ccc1OCc1cccc2ccccc21	ZINC000100250107	563590236	/nfs/dbraw/zinc/59/02/36/563590236.db2.gz	LOJFEEAHRJOSBF-JAIQZWGSSA-N	-1	1	311.768	4.880	40	30		DJEBMM
COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1[O-]	ZINC000008277743	563922335	/nfs/dbraw/zinc/92/23/35/563922335.db2.gz	MJEISRMMBVHEFN-QGMBQPNBSA-N	-1	1	310.180	4.767	40	30		DJEBMM
[O-]/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc21	ZINC000100250064	563548659	/nfs/dbraw/zinc/54/86/59/563548659.db2.gz	LXWSIAGOPABWSX-JAIQZWGSSA-N	-1	1	311.768	4.880	40	30		DJEBMM
CCOc1ccc(Cl)cc1/C=N\c1ccc(Cl)cc1[O-]	ZINC000409102298	257222809	/nfs/dbraw/zinc/22/28/09/257222809.db2.gz	RQTIHWBOEJEWLY-NVMNQCDNSA-N	-1	1	310.180	4.848	40	30		DJEBMM
COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1[O-]	ZINC000409210262	257220796	/nfs/dbraw/zinc/22/07/96/257220796.db2.gz	FVIDGZUWYMABSV-QGMBQPNBSA-N	-1	1	310.180	4.767	40	30		DJEBMM
CCCCCCCC[C@H]1CCC(=O)c2[n-]c(C)c(OC)c(=O)c21	ZINC000085733018	563557695	/nfs/dbraw/zinc/55/76/95/563557695.db2.gz	SJWGGIJOUKBIPF-AWEZNQCLSA-N	-1	1	319.445	4.503	40	30	biogenic	DJEBMM
[O-]/N=C/c1ccc(-c2nc3ccc(F)cc3s2)cc1Cl	ZINC000045923318	563889051	/nfs/dbraw/zinc/88/90/51/563889051.db2.gz	ZNSSWMALISOWQV-REZTVBANSA-N	-1	1	306.749	4.564	40	30		DJEBMM