smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Nc1c(-c2cccs2)[nH+]c2ccc(Cl)cn21	ZINC000000413729	567929856	/nfs/dbraw/zinc/92/98/56/567929856.db2.gz	YKOGDIIOFIDCGF-UHFFFAOYSA-N	1	2	291.807	4.537	40	0		CJABLO
Cc1ccn2c(c1)[nH+]c(-c1cccs1)c2NCCC(C)C	ZINC000000417134	567830008	/nfs/dbraw/zinc/83/00/08/567830008.db2.gz	IWQWTGDGXVLDMD-UHFFFAOYSA-N	1	2	299.443	4.829	40	0		CJABLO
Cc1cccc2[nH+]c(-c3cccs3)c(NCCC(C)C)n21	ZINC000000417144	567929789	/nfs/dbraw/zinc/92/97/89/567929789.db2.gz	JNXOOOBYRWZSRS-UHFFFAOYSA-N	1	2	299.443	4.829	40	0		CJABLO
Clc1ccc(-c2c[nH+]c3n2CCCCC3)cc1Cl	ZINC000001515816	567931471	/nfs/dbraw/zinc/93/14/71/567931471.db2.gz	HWGUJTVXINNNOS-UHFFFAOYSA-N	1	2	281.186	4.583	40	0		CJABLO
Sc1ccc2ccccc2c1C[NH2+]C1CCCCC1	ZINC000001688816	169742448	/nfs/dbraw/zinc/74/24/48/169742448.db2.gz	YXKQKQZHQXDFIU-UHFFFAOYSA-N	1	2	271.429	4.551	40	0		CJABLO
c1ccc(C[NH+]2C3c4ccccc4C2c2ccccc23)cc1	ZINC000001702020	567842058	/nfs/dbraw/zinc/84/20/58/567842058.db2.gz	QMUGLNUTNGWQHB-UHFFFAOYSA-N	1	2	283.374	4.695	40	0		CJABLO
CC[C@H](c1ccc(Cl)cc1)N(CC)c1cccc[nH+]1	ZINC000001760761	567843079	/nfs/dbraw/zinc/84/30/79/567843079.db2.gz	ANWWAPZDSLQNLG-OAHLLOKOSA-N	1	2	274.795	4.713	40	0		CJABLO
CC[C@@H](c1ccc(Cl)cc1)N(CC)c1cccc[nH+]1	ZINC000002035251	567844018	/nfs/dbraw/zinc/84/40/18/567844018.db2.gz	ANWWAPZDSLQNLG-HNNXBMFYSA-N	1	2	274.795	4.713	40	0		CJABLO
CCCC[N@@H+](CCc1ccccc1)c1ccccc1	ZINC000005309124	567946536	/nfs/dbraw/zinc/94/65/36/567946536.db2.gz	SSUNBVPEGZLKSE-UHFFFAOYSA-N	1	2	253.389	4.536	40	0		CJABLO
CCCC[N@H+](CCc1ccccc1)c1ccccc1	ZINC000005309124	567946535	/nfs/dbraw/zinc/94/65/35/567946535.db2.gz	SSUNBVPEGZLKSE-UHFFFAOYSA-N	1	2	253.389	4.536	40	0		CJABLO
CSc1ccc(C(C)(C)C)n1-c1ccc([NH+](C)C)cc1	ZINC000005383905	170092811	/nfs/dbraw/zinc/09/28/11/170092811.db2.gz	ZKMUAXJSRFQNMF-UHFFFAOYSA-N	1	2	288.460	4.563	40	0		CJABLO
Cc1ccc(C)c(Nc2cc(C)c3ccccc3[nH+]2)c1	ZINC000005587740	170116688	/nfs/dbraw/zinc/11/66/88/170116688.db2.gz	WMYPCTXZPDYVOH-UHFFFAOYSA-N	1	2	262.356	4.904	40	0		CJABLO
Cc1ccc(Nc2cc(C)c3ccccc3[nH+]2)cc1C	ZINC000005589103	170116666	/nfs/dbraw/zinc/11/66/66/170116666.db2.gz	RZLQRDQZGVHNEA-UHFFFAOYSA-N	1	2	262.356	4.904	40	0		CJABLO
CCCc1[nH+]c2ccccc2n1C/C=C\c1ccccc1	ZINC000006608854	170218800	/nfs/dbraw/zinc/21/88/00/170218800.db2.gz	BMVUIDBMJUZLFM-WQLSENKSSA-N	1	2	276.383	4.702	40	0		CJABLO
CCCc1[nH+]c2ccccc2n1Cc1c(C)cc(C)cc1C	ZINC000007542407	170290008	/nfs/dbraw/zinc/29/00/08/170290008.db2.gz	JQNGMMGPIWIEAM-UHFFFAOYSA-N	1	2	292.426	4.962	40	0		CJABLO
CCC1=Nc2ccccc2NC(=[NH2+])C1c1ccc(Cl)cc1	ZINC000013637114	567866766	/nfs/dbraw/zinc/86/67/66/567866766.db2.gz	KPQBWSFNINIADO-UHFFFAOYSA-N	1	2	297.789	4.576	40	0		CJABLO
C[C@@H]1C[N@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000016698379	566895986	/nfs/dbraw/zinc/89/59/86/566895986.db2.gz	WMKVDBXQGOQJKP-FKSKYRLFSA-N	1	2	299.417	4.683	40	0		CJABLO
C[C@@H]1C[N@@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000016698379	566895982	/nfs/dbraw/zinc/89/59/82/566895982.db2.gz	WMKVDBXQGOQJKP-FKSKYRLFSA-N	1	2	299.417	4.683	40	0		CJABLO
CCC1=Nc2ccccc2NC(=[NH2+])C1c1cccc(Cl)c1	ZINC000020635377	171268183	/nfs/dbraw/zinc/26/81/83/171268183.db2.gz	WENVWGVZQOSMJJ-UHFFFAOYSA-N	1	2	297.789	4.576	40	0		CJABLO
Nc1ccc2[nH]c(-c3cccc4c(Cl)cccc34)[nH+]c2c1	ZINC000022124697	171353827	/nfs/dbraw/zinc/35/38/27/171353827.db2.gz	UBSXEBPHZYMZEG-UHFFFAOYSA-N	1	2	293.757	4.619	40	0		CJABLO
CC1=C(C)[C@]2(C)[C@@]3(C)N=[NH+]N(c4ccccc4)[C@]3(C)[C@]12C	ZINC000045070074	175300616	/nfs/dbraw/zinc/30/06/16/175300616.db2.gz	SASJXELBNDHQAJ-BSDSXHPESA-N	1	2	281.403	4.767	40	0		CJABLO
C1=Nc2ccccc2C1=C1C=C[NH+](Cc2ccccc2)C=C1	ZINC000045301811	175355123	/nfs/dbraw/zinc/35/51/23/175355123.db2.gz	YWOZLPRSHVUKJK-UHFFFAOYSA-N	1	2	284.362	4.699	40	0		CJABLO
Cc1[nH]c2cc(-c3cccc4ccccc43)ccc2[nH+]1	ZINC000057469796	567948357	/nfs/dbraw/zinc/94/83/57/567948357.db2.gz	FBSSVVPDMYCEEP-UHFFFAOYSA-N	1	2	258.324	4.692	40	0		CJABLO
Cc1[nH]c2ccc(-c3cccc4ccccc43)cc2[nH+]1	ZINC000057469796	567948356	/nfs/dbraw/zinc/94/83/56/567948356.db2.gz	FBSSVVPDMYCEEP-UHFFFAOYSA-N	1	2	258.324	4.692	40	0		CJABLO
Cc1cc2[nH]c(-c3ccc(C(C)C)cc3)[nH+]c2cc1C	ZINC000070461513	566864543	/nfs/dbraw/zinc/86/45/43/566864543.db2.gz	RYJHITAMWDNHFM-UHFFFAOYSA-N	1	2	264.372	4.970	40	0		CJABLO
COc1ccc(-c2[nH]c3cc(C)c(C)cc3[nH+]2)cc1Cl	ZINC000070461593	566866026	/nfs/dbraw/zinc/86/60/26/566866026.db2.gz	INUYWMBFBWWMFT-UHFFFAOYSA-N	1	2	286.762	4.509	40	0		CJABLO
Cc1cc2[nH+]c(-c3ccc(C(C)C)cc3)[nH]c2c(C)c1	ZINC000070462752	566866066	/nfs/dbraw/zinc/86/60/66/566866066.db2.gz	QJCRLMJNWMFMRO-UHFFFAOYSA-N	1	2	264.372	4.970	40	0		CJABLO
Cc1cc2[nH+]c(-c3cccc4ccccc43)[nH]c2c(C)c1	ZINC000070462755	566865457	/nfs/dbraw/zinc/86/54/57/566865457.db2.gz	CERUMRDKUFRAGZ-UHFFFAOYSA-N	1	2	272.351	5.000	40	0		CJABLO
Cc1cc2[nH+]c(-c3ccc4ccccc4c3)[nH]c2c(C)c1	ZINC000070462758	566865544	/nfs/dbraw/zinc/86/55/44/566865544.db2.gz	JVXXGAYLNNLVQU-UHFFFAOYSA-N	1	2	272.351	5.000	40	0		CJABLO
Cc1cc2[nH+]c(-c3cccc(Cl)c3)[nH]c2c(C)c1	ZINC000070462763	566865786	/nfs/dbraw/zinc/86/57/86/566865786.db2.gz	DBQMMZFNOBCSEU-UHFFFAOYSA-N	1	2	256.736	4.500	40	0		CJABLO
Cc1cc2[nH+]c(-c3ccc(Cl)cc3)[nH]c2c(C)c1	ZINC000070462768	566865194	/nfs/dbraw/zinc/86/51/94/566865194.db2.gz	PRWUVOVYMVVRIG-UHFFFAOYSA-N	1	2	256.736	4.500	40	0		CJABLO
Cc1cc2[nH+]c(-c3ccc(C)c(Cl)c3)[nH]c2c(C)c1	ZINC000070462775	566865723	/nfs/dbraw/zinc/86/57/23/566865723.db2.gz	UYCWZMVRVBKQOZ-UHFFFAOYSA-N	1	2	270.763	4.809	40	0		CJABLO
COc1ccc(-c2[nH]c3c(cc(C)cc3C)[nH+]2)cc1Cl	ZINC000070462785	566866507	/nfs/dbraw/zinc/86/65/07/566866507.db2.gz	VDDJVYDZDOFRRV-UHFFFAOYSA-N	1	2	286.762	4.509	40	0		CJABLO
CCCN(CCC)c1[nH+]cc(SC(C)(C)C)cc1C	ZINC000072222262	567922018	/nfs/dbraw/zinc/92/20/18/567922018.db2.gz	NHJZUZZWYAIDOC-UHFFFAOYSA-N	1	2	280.481	4.907	40	0		CJABLO
Cc1cc(SC(C)(C)C)c[nH+]c1NCc1ccccc1	ZINC000072222343	567922219	/nfs/dbraw/zinc/92/22/19/567922219.db2.gz	LKKUMFCUGYGQQS-UHFFFAOYSA-N	1	2	286.444	4.893	40	0		CJABLO
Cc1cc(SC(C)(C)C)c[nH+]c1N1CCCCCC1	ZINC000072222498	567922401	/nfs/dbraw/zinc/92/24/01/567922401.db2.gz	YKPKNJZOFGISJO-UHFFFAOYSA-N	1	2	278.465	4.661	40	0		CJABLO
CCCN(CCC)c1cc(C)c(SC(C)(C)C)c[nH+]1	ZINC000072223301	256704939	/nfs/dbraw/zinc/70/49/39/256704939.db2.gz	YLCMMIRJXCYINT-UHFFFAOYSA-N	1	2	280.481	4.907	40	0		CJABLO
Cc1cc(NCc2ccccc2)[nH+]cc1SC(C)(C)C	ZINC000072223382	256705295	/nfs/dbraw/zinc/70/52/95/256705295.db2.gz	JQUKUSAKRIZTDE-UHFFFAOYSA-N	1	2	286.444	4.893	40	0		CJABLO
Cc1cc(N2CCCCCC2)[nH+]cc1SC(C)(C)C	ZINC000072223538	567922772	/nfs/dbraw/zinc/92/27/72/567922772.db2.gz	KBGGJTZHQGHUAH-UHFFFAOYSA-N	1	2	278.465	4.661	40	0		CJABLO
CCCN(CCC)c1ccc(SC(C)(C)C)c(C)[nH+]1	ZINC000072224343	567922521	/nfs/dbraw/zinc/92/25/21/567922521.db2.gz	YUMDWECVYGJMAI-UHFFFAOYSA-N	1	2	280.481	4.907	40	0		CJABLO
Cc1[nH+]c(NCc2ccccc2)ccc1SC(C)(C)C	ZINC000072224424	567922605	/nfs/dbraw/zinc/92/26/05/567922605.db2.gz	ICPCGOUEJLVLHI-UHFFFAOYSA-N	1	2	286.444	4.893	40	0		CJABLO
Cc1[nH+]c(N2CCCCCC2)ccc1SC(C)(C)C	ZINC000072224585	567922473	/nfs/dbraw/zinc/92/24/73/567922473.db2.gz	UTDQIEKOJUHBNU-UHFFFAOYSA-N	1	2	278.465	4.661	40	0		CJABLO
CC1=C(C)[C@]2(C)[C@@]3(C)N(c4ccccc4)[NH+]=N[C@]3(C)[C@@]12C	ZINC000104279832	567938120	/nfs/dbraw/zinc/93/81/20/567938120.db2.gz	SASJXELBNDHQAJ-WNRNVDISSA-N	1	2	281.403	4.767	40	0		CJABLO
Cc1cc[nH+]c(Nc2cccc(OCc3ccccc3)c2)c1	ZINC000199712941	567049077	/nfs/dbraw/zinc/04/90/77/567049077.db2.gz	SFFOJYASVSBXRF-UHFFFAOYSA-N	1	2	290.366	4.713	40	0		CJABLO
Cc1cc[nH+]c(Nc2ccc(Br)cc2Cl)c1	ZINC000199715656	567048751	/nfs/dbraw/zinc/04/87/51/567048751.db2.gz	VEVKIXYMWWXHHO-UHFFFAOYSA-N	1	2	297.583	4.550	40	0		CJABLO
Cc1cc[nH+]c(Nc2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000199716158	567049094	/nfs/dbraw/zinc/04/90/94/567049094.db2.gz	OATJUBHQSDDPSK-UHFFFAOYSA-N	1	2	286.684	4.806	40	0		CJABLO
Cc1cc[nH+]c(Nc2cccc(Oc3ccccc3)c2)c1	ZINC000199719829	567049589	/nfs/dbraw/zinc/04/95/89/567049589.db2.gz	HJDRGQGGXZZMMU-UHFFFAOYSA-N	1	2	276.339	4.926	40	0		CJABLO
Cc1cc[nH+]c(Nc2cc(Cl)ccc2C(F)(F)F)c1	ZINC000199720732	567049466	/nfs/dbraw/zinc/04/94/66/567049466.db2.gz	IKXSQHYKYVRTLA-UHFFFAOYSA-N	1	2	286.684	4.806	40	0		CJABLO
Cc1cc[nH+]c(Nc2cc(C(F)(F)F)ccc2Cl)c1	ZINC000228953779	570373210	/nfs/dbraw/zinc/37/32/10/570373210.db2.gz	ORMPUINFFJAIQA-UHFFFAOYSA-N	1	2	286.684	4.806	40	0		CJABLO
C1=CC2=CC=C[C@H](OC(c3ccccc3)c3ccccc3)C2=[NH+]1	ZINC000329014030	202150781	/nfs/dbraw/zinc/15/07/81/202150781.db2.gz	MTZDYZYKFSHCRJ-IBGZPJMESA-N	1	2	299.373	4.626	40	0		CJABLO
C1=CC2=CC=C[C@@H](OC(c3ccccc3)c3ccccc3)C2=[NH+]1	ZINC000329014031	202151679	/nfs/dbraw/zinc/15/16/79/202151679.db2.gz	MTZDYZYKFSHCRJ-LJQANCHMSA-N	1	2	299.373	4.626	40	0		CJABLO
Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1	ZINC000329034234	202161187	/nfs/dbraw/zinc/16/11/87/202161187.db2.gz	QWRHLMKJOIWUGR-UHFFFAOYSA-N	1	2	296.418	4.616	40	0		CJABLO
CC(C)c1cc(N(C(C)C)C(C)C)[nH+]c2c(O)cccc12	ZINC000685938456	567106034	/nfs/dbraw/zinc/10/60/34/567106034.db2.gz	SRZJJHVNWRJDDL-UHFFFAOYSA-N	1	2	286.419	4.687	40	0		CJABLO