smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NCc1ccc(C#N)cc1Cl)c1cccc(Cl)c1	ZINC000162637698	332493622	/nfs/dbraw/zinc/49/36/22/332493622.db2.gz	AXKNIECHMZZNTI-NSHDSACASA-N	0	1	305.208	4.716	10	30		DJEEMN
C(=NNc1c2ccccc2nc2ccccc21)c1cccs1	ZINC000005338579	181231829	/nfs/dbraw/zinc/23/18/29/181231829.db2.gz	DPDOVXPLIABEKD-XDHOZWIPSA-N	0	1	303.390	4.896	10	30		DJEEMN
C=CCOc1ccc(CN[C@@H](C)c2ccc(C)o2)cc1Cl	ZINC000066970225	335144042	/nfs/dbraw/zinc/14/40/42/335144042.db2.gz	NPVKVLMMNCRPCZ-ZDUSSCGKSA-N	0	1	305.805	4.657	10	30		DJEEMN
C=C(C)CN(CC)Cc1nc(-c2ccccc2Cl)oc1C	ZINC000012587400	518598875	/nfs/dbraw/zinc/59/88/75/518598875.db2.gz	DULBCPRKHUIFRQ-UHFFFAOYSA-N	0	1	304.821	4.701	10	30		DJEEMN
CCOc1ccc(C=Nc2ccc3nc(C(C)C)[nH]c3c2)cc1	ZINC000005939588	181298650	/nfs/dbraw/zinc/29/86/50/181298650.db2.gz	SQYHTTOLXDCLTK-UDWIEESQSA-N	0	1	307.397	4.836	10	30		DJEEMN
C=CCNCc1cc(Cl)ccc1OCc1ccc(C)cc1	ZINC000020875138	518952541	/nfs/dbraw/zinc/95/25/41/518952541.db2.gz	VTPHIJSLWLOXRL-UHFFFAOYSA-N	0	1	301.817	4.503	10	30		DJEEMN
CN(C)c1ccc(/C=C\C(=O)c2ccc3ccccc3c2O)cc1	ZINC000034377711	182732125	/nfs/dbraw/zinc/73/21/25/182732125.db2.gz	VXPHVHMTDLBAKR-ZROIWOOFSA-N	0	1	317.388	4.508	10	30		DJEEMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1c(F)cccc1F	ZINC000584608470	337371934	/nfs/dbraw/zinc/37/19/34/337371934.db2.gz	WDUMOTWBUNEBEG-NGYBGAFCSA-N	0	1	302.107	4.728	10	30		DJEEMN
FC(F)(F)c1ccc(C=NN=c2[nH]c3ccccc3s2)cc1	ZINC000033398938	527680935	/nfs/dbraw/zinc/68/09/35/527680935.db2.gz	QVYLJANSOBKBCU-OCKHKDLRSA-N	0	1	321.327	4.761	10	30		DJEEMN
N#Cc1csc(CN[C@H]2CC3(CCCC3)Oc3ccccc32)c1	ZINC000131305153	341075005	/nfs/dbraw/zinc/07/50/05/341075005.db2.gz	PMTTWXCORGVKQF-KRWDZBQOSA-N	0	1	324.449	4.546	10	30		DJEEMN
Oc1cccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c1	ZINC000005428536	181242135	/nfs/dbraw/zinc/24/21/35/181242135.db2.gz	ZFTYBXYMVPHKRX-REZTVBANSA-N	0	1	315.587	4.798	10	30		DJEEMN
C=CCOc1ccc(CN[C@H](C)c2ccc(C)o2)cc1Cl	ZINC000066970224	335143999	/nfs/dbraw/zinc/14/39/99/335143999.db2.gz	NPVKVLMMNCRPCZ-CYBMUJFWSA-N	0	1	305.805	4.657	10	30		DJEEMN
N#Cc1csc(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)c1	ZINC000131304924	341074935	/nfs/dbraw/zinc/07/49/35/341074935.db2.gz	PMTTWXCORGVKQF-QGZVFWFLSA-N	0	1	324.449	4.546	10	30		DJEEMN
CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccccc2)c1O	ZINC000015114975	560228322	/nfs/dbraw/zinc/22/83/22/560228322.db2.gz	CHWWSUSAPRACBZ-FMIVXFBMSA-N	0	1	308.377	4.503	10	30	biogenic,in-vitro	DJEEMN
CCCCCCCCCCCCNc1ncnc2[nH]cnc21	ZINC000006845408	520012146	/nfs/dbraw/zinc/01/21/46/520012146.db2.gz	SBEOUENSMWBHFN-UHFFFAOYSA-N	0	1	303.454	4.686	10	30		DJEEMN
CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccncc1	ZINC000005621275	181264551	/nfs/dbraw/zinc/26/45/51/181264551.db2.gz	OGMOKAVOORRFRO-QGMBQPNBSA-N	0	1	314.603	4.878	10	30		DJEEMN
N#Cc1ccc(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)s1	ZINC000131279970	337437061	/nfs/dbraw/zinc/43/70/61/337437061.db2.gz	HHVWNXBRNDJGFU-QGZVFWFLSA-N	0	1	324.449	4.546	10	30		DJEEMN
C=CCc1cccc(C=Nc2ccc3nc(C(C)C)[nH]c3c2)c1O	ZINC000005911487	181295652	/nfs/dbraw/zinc/29/56/52/181295652.db2.gz	IKTGFGAVZKFGBF-CIAFOILYSA-N	0	1	319.408	4.871	10	30		DJEEMN
CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(C(C)(C)C)cc1	ZINC000035327965	518455071	/nfs/dbraw/zinc/45/50/71/518455071.db2.gz	QQHZJVYLDHXECG-XKZIYDEJSA-N	0	1	306.413	4.697	10	30		DJEEMN
C(=NNc1nc2ccccc2s1)c1ccc2ccccc2c1	ZINC000006672824	181368765	/nfs/dbraw/zinc/36/87/65/181368765.db2.gz	FNWXQICIXXDSNF-XDHOZWIPSA-N	0	1	303.390	4.896	10	30		DJEEMN