smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N1CCCCC1	ZINC000216911429	570309142	/nfs/dbraw/zinc/30/91/42/570309142.db2.gz	UVHWQHLKTLAQHJ-HNNXBMFYSA-N	1	0	395.525	2.150	40	70		GEIBRO
COc1ccc2c(c1)cc(C[N@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)c(=O)n2C	ZINC000217564411	570318267	/nfs/dbraw/zinc/31/82/67/570318267.db2.gz	XYJAPFGBEOKPQM-DOTOQJQBSA-N	1	0	391.471	2.328	40	70		GEIBRO
Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCCCC1	ZINC000216942768	570309988	/nfs/dbraw/zinc/30/99/88/570309988.db2.gz	CQBPQJFJBIAGTA-UHFFFAOYSA-N	1	0	393.553	2.384	40	70		GEIBRO
Cc1ccc(C)c(N([C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c1	ZINC000216943263	570310025	/nfs/dbraw/zinc/31/00/25/570310025.db2.gz	LDOIDKNYIGVVIB-KRWDZBQOSA-N	1	0	395.569	2.306	40	70		GEIBRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216911555	570309194	/nfs/dbraw/zinc/30/91/94/570309194.db2.gz	LTZFJVMCQZKGPH-OAHLLOKOSA-N	1	0	395.525	2.150	40	70		GEIBRO
CC[C@@H](C(=O)NCCC1CC[NH+](C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000217016401	570311624	/nfs/dbraw/zinc/31/16/24/570311624.db2.gz	WJIOYXUITJHICB-SFHVURJKSA-N	1	0	399.532	2.218	40	70		GEIBRO
Cc1cc(C(=O)NCCC[NH+](C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2	ZINC000216892158	136203177	/nfs/dbraw/zinc/20/31/77/136203177.db2.gz	LZXUTPGVWQEQJN-UHFFFAOYSA-N	1	0	387.505	2.482	40	70		GEIBRO
Cc1ccc(N([C@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1C	ZINC000216939495	570309902	/nfs/dbraw/zinc/30/99/02/570309902.db2.gz	AAMIBAXLDIKSHD-QGZVFWFLSA-N	1	0	395.569	2.306	40	70		GEIBRO
COc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N1CCCCC1	ZINC000216911400	570309086	/nfs/dbraw/zinc/30/90/86/570309086.db2.gz	UVHWQHLKTLAQHJ-OAHLLOKOSA-N	1	0	395.525	2.150	40	70		GEIBRO
Cc1cc(C)cc(N([C@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c1	ZINC000216939594	570309972	/nfs/dbraw/zinc/30/99/72/570309972.db2.gz	VIXRQIBGDAHISZ-QGZVFWFLSA-N	1	0	395.569	2.306	40	70		GEIBRO
CC[C@H](C(=O)NCCC1CC[NH+](C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000217016444	570311526	/nfs/dbraw/zinc/31/15/26/570311526.db2.gz	WJIOYXUITJHICB-GOSISDBHSA-N	1	0	399.532	2.218	40	70		GEIBRO
Cc1cccc(N(CCCC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c1	ZINC000217035752	570312346	/nfs/dbraw/zinc/31/23/46/570312346.db2.gz	XMVKKRBNCAJYFW-UHFFFAOYSA-N	1	0	395.569	2.389	40	70		GEIBRO
COc1ccccc1N1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O	ZINC000217688266	570320338	/nfs/dbraw/zinc/32/03/38/570320338.db2.gz	RUTPNRQEZGCVJK-OKZBNKHCSA-N	1	0	385.508	2.429	40	70		GEIBRO
CC(=O)Nc1ccc2c(c1)nc(C[N@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)n2C	ZINC000217540516	570318184	/nfs/dbraw/zinc/31/81/84/570318184.db2.gz	QLENMSZXHYHAGD-JKSUJKDBSA-N	1	0	391.475	2.313	40	70		GEIBRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216911584	570309001	/nfs/dbraw/zinc/30/90/01/570309001.db2.gz	LTZFJVMCQZKGPH-HNNXBMFYSA-N	1	0	395.525	2.150	40	70		GEIBRO
C[NH+]1CCC(CCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)CC1	ZINC000217035512	208826340	/nfs/dbraw/zinc/82/63/40/208826340.db2.gz	IPEDCINFMZDERJ-UHFFFAOYSA-N	1	0	381.542	2.081	40	70		GEIBRO
C[NH+]1CCC(CCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)CC1	ZINC000216946912	211747456	/nfs/dbraw/zinc/74/74/56/211747456.db2.gz	RBDYCTNRVMKREF-UHFFFAOYSA-N	1	0	399.532	2.220	40	70		GEIBRO
O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1ccc2c(c1)OCCCO2	ZINC000217564307	570318044	/nfs/dbraw/zinc/31/80/44/570318044.db2.gz	ILXDFGUYCYBLSB-DOTOQJQBSA-N	1	0	380.444	2.312	40	70		GEIBRO
Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCC1	ZINC000216900931	570308962	/nfs/dbraw/zinc/30/89/62/570308962.db2.gz	BCHALLWUPGJZHN-UHFFFAOYSA-N	1	0	379.526	2.450	40	70		GEIBRO
Cc1ccc(N([C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1C	ZINC000216939478	570309912	/nfs/dbraw/zinc/30/99/12/570309912.db2.gz	AAMIBAXLDIKSHD-KRWDZBQOSA-N	1	0	395.569	2.306	40	70		GEIBRO
Cc1ccc(C)c(N([C@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c1	ZINC000216943289	211747961	/nfs/dbraw/zinc/74/79/61/211747961.db2.gz	LDOIDKNYIGVVIB-QGZVFWFLSA-N	1	0	395.569	2.306	40	70		GEIBRO
CC(C)c1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1	ZINC000216934960	570309889	/nfs/dbraw/zinc/30/98/89/570309889.db2.gz	FIZIYRUMTULUBZ-UHFFFAOYSA-N	1	0	395.569	2.424	40	70		GEIBRO
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CC1CC[NH+](C)CC1	ZINC000216902530	570309157	/nfs/dbraw/zinc/30/91/57/570309157.db2.gz	BAEDIIUSWQJIGR-UHFFFAOYSA-N	1	0	395.525	2.150	40	70		GEIBRO
CN(c1ccccc1C(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1	ZINC000216938823	570309892	/nfs/dbraw/zinc/30/98/92/570309892.db2.gz	OCVXOKKAZNYCEC-UHFFFAOYSA-N	1	0	387.505	2.336	40	70		GEIBRO
COc1cc(OC)cc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000217010639	570311266	/nfs/dbraw/zinc/31/12/66/570311266.db2.gz	WRWYPEVITWSJIL-UHFFFAOYSA-N	1	0	385.464	2.473	40	70		GEIBRO
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CC1CC[NH+](C)CC1	ZINC000216902580	570308901	/nfs/dbraw/zinc/30/89/01/570308901.db2.gz	IQDYVCQJIMCWLR-UHFFFAOYSA-N	1	0	383.514	2.052	40	70		GEIBRO
COc1cccc(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c1	ZINC000217672777	222581544	/nfs/dbraw/zinc/58/15/44/222581544.db2.gz	VCJAEHZANBYVDX-ABSDTBQOSA-N	1	0	385.508	2.429	40	70		GEIBRO
O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1	ZINC000217565809	570318099	/nfs/dbraw/zinc/31/80/99/570318099.db2.gz	CBYJQMFPSVGCOL-QWHCGFSZSA-N	1	0	382.851	2.358	40	70		GEIBRO
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCC1CC[NH+](C)CC1	ZINC000216944917	222578866	/nfs/dbraw/zinc/57/88/66/222578866.db2.gz	NNHQRXXYWAKVGU-UHFFFAOYSA-N	1	0	393.553	2.241	40	70		GEIBRO
Cc1ccc(N(CCCC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1	ZINC000217035870	570312523	/nfs/dbraw/zinc/31/25/23/570312523.db2.gz	XTONYXZOWQKKAW-UHFFFAOYSA-N	1	0	395.569	2.389	40	70		GEIBRO
Cc1cc(C)cc(N([C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c1	ZINC000216939576	570309967	/nfs/dbraw/zinc/30/99/67/570309967.db2.gz	VIXRQIBGDAHISZ-KRWDZBQOSA-N	1	0	395.569	2.306	40	70		GEIBRO
Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCC1	ZINC000216942736	570310013	/nfs/dbraw/zinc/31/00/13/570310013.db2.gz	QEYPRXAJHHLQEC-UHFFFAOYSA-N	1	0	393.553	2.241	40	70		GEIBRO
CCc1ccc(OCC(=O)NCCCN2CC[NH+](C)CC2)c(Br)c1	ZINC000217009738	570311244	/nfs/dbraw/zinc/31/12/44/570311244.db2.gz	QVTREBHLXSPFDT-UHFFFAOYSA-N	1	0	398.345	2.144	40	70		GEIBRO
C[NH+]1CCC(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)CC1	ZINC000216797348	570307214	/nfs/dbraw/zinc/30/72/14/570307214.db2.gz	ZJKLITSTBMMRPB-UHFFFAOYSA-N	1	0	393.553	2.220	40	70		GEIBRO
CC[C@H](C(=O)NCCC1CC[NH+](C)CC1)N(c1ccccc1)S(C)(=O)=O	ZINC000217015472	570311077	/nfs/dbraw/zinc/31/10/77/570311077.db2.gz	HGEVMKGXMVMFCQ-GOSISDBHSA-N	1	0	381.542	2.079	40	70		GEIBRO
CC[C@@H](C(=O)NCCC1CC[NH+](C)CC1)N(c1ccccc1)S(C)(=O)=O	ZINC000217015426	570311192	/nfs/dbraw/zinc/31/11/92/570311192.db2.gz	HGEVMKGXMVMFCQ-SFHVURJKSA-N	1	0	381.542	2.079	40	70		GEIBRO
COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1	ZINC000217700348	570320088	/nfs/dbraw/zinc/32/00/88/570320088.db2.gz	PRHPGKFXYSPMBS-ABSDTBQOSA-N	1	0	385.508	2.429	40	70		GEIBRO
Cc1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)ccc1N1CCCC1=O	ZINC000217018732	570311401	/nfs/dbraw/zinc/31/14/01/570311401.db2.gz	YHCIFTZTRKJCOZ-UHFFFAOYSA-N	1	0	379.526	2.132	40	70		GEIBRO
CC(=O)N1CCc2cc(C(=O)CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)ccc21	ZINC000217561913	570318253	/nfs/dbraw/zinc/31/82/53/570318253.db2.gz	GNLPPZAUBOWCCP-QFBILLFUSA-N	1	0	391.471	2.059	40	70		GEIBRO