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)[N-]C1=S	ZINC000019997815	351353034	/nfs/dbraw/zinc/35/30/34/351353034.db2.gz	MNDIPCGROWDQGJ-CMDGGOBGSA-N	0	1	284.385	-0.325	50	10		CBCAMN
O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNCCO	ZINC000100933635	351781294	/nfs/dbraw/zinc/78/12/94/351781294.db2.gz	VGWKACAKDAPBSE-NTMALXAHSA-N	0	1	291.332	-0.100	50	10		CBCAMN
NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000004676919	351320150	/nfs/dbraw/zinc/32/01/50/351320150.db2.gz	SKSULFQVPJDVPC-UHFFFAOYSA-N	0	1	289.247	-0.700	50	10		CBCAMN
CN1C(=O)NC(=O)C(=CNCCCn2ccnc2)C1=O	ZINC000100766844	351781382	/nfs/dbraw/zinc/78/13/82/351781382.db2.gz	XNIVVGAFQIGHQQ-VQHVLOKHSA-N	0	1	277.284	-0.545	50	10		CBCAMN
CN(C)N=Nc1nc2c([nH]1)n(C)c(=O)n(C)c2=O	ZINC000253996298	419596066	/nfs/dbraw/zinc/59/60/66/419596066.db2.gz	XSMQMOYXSNWSHW-UHFFFAOYSA-N	0	1	251.250	-0.479	50	10		CBCAMN
NC(=O)c1[nH]cnc1/N=N/SC[C@@H]([NH3+])C(=O)[O-]	ZINC000005605513	170118894	/nfs/dbraw/zinc/11/88/94/170118894.db2.gz	OZJYOELRWINQGB-HNQHWHHVSA-N	0	1	258.263	-0.348	50	10		CBCAMN
C[NH+](C)CCNC=C1C(=O)[N-]C(=S)N(C2CC2)C1=O	ZINC000001855012	351306937	/nfs/dbraw/zinc/30/69/37/351306937.db2.gz	LZNJRENUKTXKSG-CLFYSBASSA-N	0	1	282.369	-0.573	50	10		CBCAMN
CSc1ncc(C=C2C(=O)NC(=O)NC2=O)cn1	ZINC000002852152	278180589	/nfs/dbraw/zinc/18/05/89/278180589.db2.gz	JGWRIAMAJIVZBY-UHFFFAOYSA-N	0	1	264.266	-0.052	50	10		CBCAMN
CCN1C(=O)C(=CNCC[NH+](C)C)C(=O)[N-]C1=S	ZINC000019996833	351353884	/nfs/dbraw/zinc/35/38/84/351353884.db2.gz	SRZDAHISROCAJD-BQYQJAHWSA-N	0	1	270.358	-0.715	50	10		CBCAMN
C[NH+](C)CCNC=C1C(=O)[N-]C(=S)N(C2CC2)C1=O	ZINC000101086418	351782146	/nfs/dbraw/zinc/78/21/46/351782146.db2.gz	LZNJRENUKTXKSG-VQHVLOKHSA-N	0	1	282.369	-0.573	50	10		CBCAMN
CN(C)c1ncc(/C=C2/C(=O)NC(=O)N(C)C2=O)cn1	ZINC000016225303	655996357	/nfs/dbraw/zinc/99/63/57/655996357.db2.gz	BOLQMFQQILAUAR-YWEYNIOJSA-N	0	1	275.268	-0.366	50	10		CBCAMN
CN1C(=O)C(=CNCCC[NH+](C)C)C(=O)[N-]C1=S	ZINC000019994923	351353912	/nfs/dbraw/zinc/35/39/12/351353912.db2.gz	DWCHVJSHMMPOGK-BQYQJAHWSA-N	0	1	270.358	-0.715	50	10		CBCAMN
CC[NH+](CC)CCNC=C1C(=O)[N-]C(=S)N(C)C1=O	ZINC000002273876	169784204	/nfs/dbraw/zinc/78/42/04/169784204.db2.gz	SZRMBLRNMMSRMG-CMDGGOBGSA-N	0	1	284.385	-0.325	50	10		CBCAMN
C[NH+](C)CCCNC=C1C(=O)[N-]C(=S)N(C2CC2)C1=O	ZINC000001841960	351307084	/nfs/dbraw/zinc/30/70/84/351307084.db2.gz	JSSNSKXMLVAAQJ-CSKARUKUSA-N	0	1	296.396	-0.183	50	10		CBCAMN
O=C1[N-]C(=S)NC(=O)C1=CNCC[NH+]1CCCCC1	ZINC000019995966	260115644	/nfs/dbraw/zinc/11/56/44/260115644.db2.gz	WCNSQGHDLMEJBJ-UHFFFAOYSA-N	0	1	282.369	-0.523	50	10		CBCAMN
O=C1[N-]C(=S)NC(=O)C1=CNCCC[NH+]1CCCCC1	ZINC000101068720	351782578	/nfs/dbraw/zinc/78/25/78/351782578.db2.gz	RIUJBEZKKOAABG-UHFFFAOYSA-N	0	1	296.396	-0.133	50	10		CBCAMN
O=C1NC(=O)C(=Cc2ccc(OCCO)cc2)C(=O)N1	ZINC000006221425	170183516	/nfs/dbraw/zinc/18/35/16/170183516.db2.gz	XBEHBIMVANQXRN-UHFFFAOYSA-N	0	1	276.248	-0.193	50	10		CBCAMN
Cc1nn(C)c(C)c1NC=C1C(=O)NC(=O)NC1=O	ZINC000006550764	170212191	/nfs/dbraw/zinc/21/21/91/170212191.db2.gz	JKUKNNXVTNXVGG-UHFFFAOYSA-N	0	1	263.257	-0.301	50	10		CBCAMN
CNC(=O)c1[nH]cnc1N=NSC[C@H]([NH3+])C(=O)[O-]	ZINC000003766711	351314707	/nfs/dbraw/zinc/31/47/07/351314707.db2.gz	GVBKNFBGDSCZLE-CJIUCSANSA-N	0	1	272.290	-0.087	50	10		CBCAMN
Cc1cc(C)nc(NC=C2C(=O)NC(=O)NC2=O)n1	ZINC000011666637	351330614	/nfs/dbraw/zinc/33/06/14/351330614.db2.gz	ORTPMSWCOBRQPU-UHFFFAOYSA-N	0	1	261.241	-0.245	50	10		CBCAMN
CN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)[N-]C1=S	ZINC000020025086	351353705	/nfs/dbraw/zinc/35/37/05/351353705.db2.gz	WGKXLKOAQZHEEY-MDZDMXLPSA-N	0	1	296.396	-0.181	50	10		CBCAMN
CC(C)(C)N1C(=O)NC(=O)C(=CNCCO)C1=O	ZINC000101032649	351781580	/nfs/dbraw/zinc/78/15/80/351781580.db2.gz	JZJSVSKQACJACJ-SREVYHEPSA-N	0	1	255.274	-0.671	50	10		CBCAMN
CN1C(=O)NC(=O)C(=CNN2CCOCC2)C1=O	ZINC000006856760	276879737	/nfs/dbraw/zinc/87/97/37/276879737.db2.gz	SYZOHWWMFPBSDA-SREVYHEPSA-N	0	1	254.246	-0.744	50	10		CBCAMN
CC[NH+](CC)CCNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000096286684	351774898	/nfs/dbraw/zinc/77/48/98/351774898.db2.gz	ZWIXSDYQXBSJHO-UHFFFAOYSA-N	0	1	270.358	-0.667	50	10		CBCAMN
CC(C)(C)N1C(=O)NC(=O)C(=CNCCO)C1=O	ZINC000005669484	170125991	/nfs/dbraw/zinc/12/59/91/170125991.db2.gz	JZJSVSKQACJACJ-VOTSOKGWSA-N	0	1	255.274	-0.671	50	10		CBCAMN
O=C1NC(=O)C(=Cc2ccccc2OCCO)C(=O)N1	ZINC000002910156	351311767	/nfs/dbraw/zinc/31/17/67/351311767.db2.gz	BAPCEDJKJWJUNA-UHFFFAOYSA-N	0	1	276.248	-0.193	50	10		CBCAMN
O=C1NC(=O)C(=CNCCc2ccccn2)C(=O)N1	ZINC000022023124	351355014	/nfs/dbraw/zinc/35/50/14/351355014.db2.gz	GSFIZISVHXOXOZ-UHFFFAOYSA-N	0	1	260.253	-0.536	50	10		CBCAMN
NC(=O)c1[nH]cnc1/N=N/SC[C@H]([NH3+])C(=O)[O-]	ZINC000005605512	170119021	/nfs/dbraw/zinc/11/90/21/170119021.db2.gz	OZJYOELRWINQGB-GQCOOFHSSA-N	0	1	258.263	-0.348	50	10		CBCAMN
CCCCN1C(=O)C(=CN[NH+]=C(N)N)C(=O)[N-]C1=S	ZINC000020358389	171157517	/nfs/dbraw/zinc/15/75/17/171157517.db2.gz	BSISTOKAEQQUFF-AATRIKPKSA-N	0	1	284.345	-0.258	50	10		CBCAMN
O=C1NC(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)N1	ZINC000003153230	351311776	/nfs/dbraw/zinc/31/17/76/351311776.db2.gz	YAPYFQRBBAYRAY-UHFFFAOYSA-N	0	1	289.247	-0.245	50	10		CBCAMN
CNC(=O)c1[nH]cnc1N=NSC[C@@H]([NH3+])C(=O)[O-]	ZINC000016949352	351344933	/nfs/dbraw/zinc/34/49/33/351344933.db2.gz	GVBKNFBGDSCZLE-GVPQNZMTSA-N	0	1	272.290	-0.087	50	10		CBCAMN
CC(C)(C)N1C(=O)NC(=O)C(=CNC(C)(CO)CO)C1=O	ZINC000005624960	170121549	/nfs/dbraw/zinc/12/15/49/170121549.db2.gz	ZCSZPFPMZCDSJX-YVMONPNESA-N	0	1	299.327	-0.920	50	10		CBCAMN
CC[NH+](CC)CCCNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000097953178	528112331	/nfs/dbraw/zinc/11/23/31/528112331.db2.gz	NVWPOQXPJMUECB-UHFFFAOYSA-N	0	1	284.385	-0.277	50	10		CBCAMN