smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(/N=C/C=N/N(C)C1=NCCN1)C1=NCCN1	ZINC000001643171	372755000	/nfs/dbraw/zinc/75/50/00/372755000.db2.gz	PEQFDCVIQAZWEX-BGPOSVGRSA-N	0	3	250.310	-1.260	40	30		CAEBHN
C(=CN=NC1NCCCN1)N=NC1=NCCCN1	ZINC000104309847	372903808	/nfs/dbraw/zinc/90/38/08/372903808.db2.gz	GZIVYCXKFRYFKO-BSHIDLADSA-N	0	3	250.310	-1.164	40	30		CAEBHN
CN(NC=C(NN)C(O)C(=O)[C@H](O)CO)c1ccccc1	ZINC000006178420	373015237	/nfs/dbraw/zinc/01/52/37/373015237.db2.gz	DDSYWFVQYJSVOJ-KRXGRVHHSA-N	0	3	296.327	-1.502	40	30		CAEBHN
CN(/N=C\C=N/N(C)C1=NCCN1)C1=NCCN1	ZINC000017253908	372794654	/nfs/dbraw/zinc/79/46/54/372794654.db2.gz	PEQFDCVIQAZWEX-DUGOVBPYSA-N	0	3	250.310	-1.260	40	30		CAEBHN
OCCN(CC#CCN(CCO)CCO)CCO	ZINC000001760261	373566769	/nfs/dbraw/zinc/56/67/69/373566769.db2.gz	LQKVTJKNXPYNTL-UHFFFAOYSA-N	0	3	260.334	-2.437	40	30		CAEBHN
C(=CN=NC1NCCCN1)N=NC1=NCCCN1	ZINC000008665440	170344745	/nfs/dbraw/zinc/34/47/45/170344745.db2.gz	GZIVYCXKFRYFKO-DUGOVBPYSA-N	0	3	250.310	-1.164	40	30		CAEBHN
CN(/N=C/C=N\N(C)C1=NCCN1)C1=NCCN1	ZINC000008665449	170344799	/nfs/dbraw/zinc/34/47/99/170344799.db2.gz	PEQFDCVIQAZWEX-BSHIDLADSA-N	0	3	250.310	-1.260	40	30		CAEBHN
C(=CN=NC1NCCCN1)N=NC1=NCCCN1	ZINC000017253864	372795721	/nfs/dbraw/zinc/79/57/21/372795721.db2.gz	GZIVYCXKFRYFKO-BGPOSVGRSA-N	0	3	250.310	-1.164	40	30		CAEBHN
NC(N)=[NH+]NC(=CN=NC(N)N)C(O)=C([O-])[C@@H](O)CO	ZINC000104122053	372902562	/nfs/dbraw/zinc/90/25/62/372902562.db2.gz	OZSNIAZMEQYKFP-QOSYOBONSA-N	0	3	290.284	-4.631	40	30		CAEBHN
CN(NC=C(NN)C(O)C(=O)[C@H](O)CO)c1ccccc1	ZINC000006178422	373015034	/nfs/dbraw/zinc/01/50/34/373015034.db2.gz	DDSYWFVQYJSVOJ-TZNNNCJOSA-N	0	3	296.327	-1.502	40	30		CAEBHN
CN(NC=C(NN)C(O)C(=O)[C@@H](O)CO)c1ccccc1	ZINC000016188766	262022489	/nfs/dbraw/zinc/02/24/89/262022489.db2.gz	DDSYWFVQYJSVOJ-QPJCOPHGSA-N	0	3	296.327	-1.502	40	30		CAEBHN
NC(N)=[NH+]NC(=CN=NC(N)N)C(O)=C([O-])[C@@H](O)CO	ZINC000104122049	372903697	/nfs/dbraw/zinc/90/36/97/372903697.db2.gz	OZSNIAZMEQYKFP-PDPXIODXSA-N	0	3	290.284	-4.631	40	30		CAEBHN
CN(NC=C(NN)C(O)C(=O)[C@H](O)CO)c1ccccc1	ZINC000006178425	373014633	/nfs/dbraw/zinc/01/46/33/373014633.db2.gz	DDSYWFVQYJSVOJ-QNGMSSPRSA-N	0	3	296.327	-1.502	40	30		CAEBHN
N#CC[C@@H](NC(=O)C1=C[C@@H](N)[C@@H](O)[C@H](O)C1)C(N)=O	ZINC000058990757	373179301	/nfs/dbraw/zinc/17/93/01/373179301.db2.gz	OKTCWWQCSZTEQE-FNCVBFRFSA-N	0	3	268.273	-2.751	40	30	biogenic,in-vitro	CAEBHN
CN(NC=C(NN)C(O)C(=O)[C@H](O)CO)c1ccccc1	ZINC000006178428	409357471	/nfs/dbraw/zinc/35/74/71/409357471.db2.gz	DDSYWFVQYJSVOJ-YHZFSEMZSA-N	0	3	296.327	-1.502	40	30		CAEBHN
CN(NC=C(NN)C(O)C(=O)[C@@H](O)CO)c1ccccc1	ZINC000016188762	262021980	/nfs/dbraw/zinc/02/19/80/262021980.db2.gz	DDSYWFVQYJSVOJ-DOQQJWMDSA-N	0	3	296.327	-1.502	40	30		CAEBHN