smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1C(=O)C(=CNCCC[NH+](C)C)C(=O)NC1=S	ZINC000019997815	351353022	/nfs/dbraw/zinc/35/30/22/351353022.db2.gz	MNDIPCGROWDQGJ-CMDGGOBGSA-N	1	0	284.385	-0.325	50	10		CBCARO
CN1C(=O)C(=CNCC[NH+](C)C)C(=O)N(C)C1=S	ZINC000019995321	351353474	/nfs/dbraw/zinc/35/34/74/351353474.db2.gz	BQRNORVQSLPWCH-UHFFFAOYSA-N	1	0	270.358	-0.763	50	10		CBCARO
CN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)N(C)C1=O	ZINC000020790127	171272522	/nfs/dbraw/zinc/27/25/22/171272522.db2.gz	QMFIYINNLBWWNL-UHFFFAOYSA-N	1	0	294.355	-0.004	50	10		CBCARO
C[NH+](C)CCNC=C1C(=O)NC(=S)N(C2CC2)C1=O	ZINC000001855012	351306934	/nfs/dbraw/zinc/30/69/34/351306934.db2.gz	LZNJRENUKTXKSG-CLFYSBASSA-N	1	0	282.369	-0.573	50	10		CBCARO
CN1C(=O)C(=CNCC2CC[NH2+]CC2)C(=O)N(C)C1=O	ZINC000019758764	351351967	/nfs/dbraw/zinc/35/19/67/351351967.db2.gz	IAHWDMXDFMQYHH-UHFFFAOYSA-N	1	0	280.328	-0.490	50	10		CBCARO
CCN1C(=O)C(=CNCC[NH+](C)C)C(=O)NC1=S	ZINC000019996833	351353881	/nfs/dbraw/zinc/35/38/81/351353881.db2.gz	SRZDAHISROCAJD-BQYQJAHWSA-N	1	0	270.358	-0.715	50	10		CBCARO
CN1C(=O)C(=CNCCC[NH+](C)C)C(=O)N(C)C1=O	ZINC000019994658	351354055	/nfs/dbraw/zinc/35/40/55/351354055.db2.gz	BNQRDUWNDZPOOH-UHFFFAOYSA-N	1	0	268.317	-0.538	50	10		CBCARO
C[NH+](C)CCNC=C1C(=O)NC(=S)N(C2CC2)C1=O	ZINC000101086418	351782143	/nfs/dbraw/zinc/78/21/43/351782143.db2.gz	LZNJRENUKTXKSG-VQHVLOKHSA-N	1	0	282.369	-0.573	50	10		CBCARO
CN1C(=O)C(=CNCC[NH+](C)C)C(=O)N(C)C1=O	ZINC000019681621	351350552	/nfs/dbraw/zinc/35/05/52/351350552.db2.gz	FTZWTFVWKJRABV-UHFFFAOYSA-N	1	0	254.290	-0.928	50	10		CBCARO
CC[NH+](CC)CCNC=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000019949564	351353848	/nfs/dbraw/zinc/35/38/48/351353848.db2.gz	KEJPGCXRYZUURK-UHFFFAOYSA-N	1	0	282.344	-0.148	50	10		CBCARO
CN1C(=O)C(=CNCCC[NH+](C)C)C(=O)NC1=S	ZINC000019994923	351353908	/nfs/dbraw/zinc/35/39/08/351353908.db2.gz	DWCHVJSHMMPOGK-BQYQJAHWSA-N	1	0	270.358	-0.715	50	10		CBCARO
CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(C)C1=O	ZINC000002273876	169784203	/nfs/dbraw/zinc/78/42/03/169784203.db2.gz	SZRMBLRNMMSRMG-CMDGGOBGSA-N	1	0	284.385	-0.325	50	10		CBCARO
C[NH+](C)CCCNC=C1C(=O)NC(=S)N(C2CC2)C1=O	ZINC000001841960	351307076	/nfs/dbraw/zinc/30/70/76/351307076.db2.gz	JSSNSKXMLVAAQJ-CSKARUKUSA-N	1	0	296.396	-0.183	50	10		CBCARO
CN1C(=O)C(=CNCCC[NH+](C)C)C(=O)N(C)C1=S	ZINC000019948832	351353345	/nfs/dbraw/zinc/35/33/45/351353345.db2.gz	QAQRJYHEMYKHPF-UHFFFAOYSA-N	1	0	284.385	-0.373	50	10		CBCARO
O=C1NC(=S)NC(=O)C1=CNCC[NH+]1CCCCC1	ZINC000019995966	260115642	/nfs/dbraw/zinc/11/56/42/260115642.db2.gz	WCNSQGHDLMEJBJ-UHFFFAOYSA-N	1	0	282.369	-0.523	50	10		CBCARO
O=C1NC(=S)NC(=O)C1=CNCCC[NH+]1CCCCC1	ZINC000101068720	351782573	/nfs/dbraw/zinc/78/25/73/351782573.db2.gz	RIUJBEZKKOAABG-UHFFFAOYSA-N	1	0	296.396	-0.133	50	10		CBCARO
CN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)NC1=S	ZINC000020025086	351353700	/nfs/dbraw/zinc/35/37/00/351353700.db2.gz	WGKXLKOAQZHEEY-MDZDMXLPSA-N	1	0	296.396	-0.181	50	10		CBCARO
CC[NH+](CC)CCNC=C1C(=O)NC(=S)NC1=O	ZINC000096286684	351774894	/nfs/dbraw/zinc/77/48/94/351774894.db2.gz	ZWIXSDYQXBSJHO-UHFFFAOYSA-N	1	0	270.358	-0.667	50	10		CBCARO
CN1C(=O)C(=CNCC[N+](C)(C)C)C(=O)N(C)C1=S	ZINC000006056778	170172659	/nfs/dbraw/zinc/17/26/59/170172659.db2.gz	BBQMDEMABFVCQQ-UHFFFAOYSA-O	1	0	285.393	-0.619	50	10		CBCARO
CCCCN1C(=O)C(=CN[NH+]=C(N)N)C(=O)NC1=S	ZINC000020358389	171157515	/nfs/dbraw/zinc/15/75/15/171157515.db2.gz	BSISTOKAEQQUFF-AATRIKPKSA-N	1	0	284.345	-0.258	50	10		CBCARO
CC[NH+](CC)CCCNC=C1C(=O)NC(=S)NC1=O	ZINC000097953178	528112322	/nfs/dbraw/zinc/11/23/22/528112322.db2.gz	NVWPOQXPJMUECB-UHFFFAOYSA-N	1	0	284.385	-0.277	50	10		CBCARO